Re: [gmx-users] Gcc

[Anshul Lahariya]

Dear Joao,

U r right, it's my fault, but the thing is that i was tried lot of thing
but not found anything perfect. That's by , i was waiting from weekend for
one answer.

Regards,
Anshul

On Mon, Apr 24, 2017 at 2:53 PM, João Henriques <
joao.m.a.henriq...@gmail.com> wrote:

> Dear Mark and by extension Anshul,
>
> I did make an assumption at the bottom of my previous email, and that was
> uncalled for (despite having good intentions, but that doesn't change
> anything). I apologize for that. That, however, does not overshadow the
> fact that I provided Anshul with all the necessary information in a most
> friendly, voluntary and professional way throughout three separate emails.
>
> Best regards,
> João
>
> On Mon, Apr 24, 2017 at 11:09 AM, Mark Abraham 
> wrote:
>
> > Hi Joao, Anshul and all,
> >
> > Let's all please remember to keep the environment friendly and
> > professional.
> >
> > That means not making assumptions about other people's intentions.
> Learning
> > complex things like simulation science take time, and people often make
> > mistakes when joining new communities, particularly if it's in a language
> > with which they are not fully familiar. :-)
> >
> > That also means remembering that everybody here is volunteering their
> time
> > to help others, and asking only for some of that time when you really
> need
> > it is important if you wish to keep others motivated to help you. Look
> for
> > your own answers first!
> >
> > Please all take a moment to review the thoughts at
> > http://www.gromacs.org/Support/Mailing_Lists (or suggest improvements!)
> >
> > Cheers,
> >
> > Mark
> >
> > On Mon, Apr 24, 2017 at 10:39 AM João Henriques <
> > joao.m.a.henriq...@gmail.com> wrote:
> >
> > > Dear Anshul,
> > >
> > > I thought by movie you meant that you wanted to visually check the
> > > trajectory. ​For PyMOL, google search "pymol movie" produces about
> 31.000
> > > results in 0,31 seconds. The first hit is exactly what you want:
> > >
> > > https://pymolwiki.org/index.php/MovieSchool
> > >
> > > My previous email will still be valid as you'll first need to make
> PyMOL
> > > read your trajectory.
> > >
> > > - - -
> > >
> > > I know you want the exact array of commands you need to input in order
> to
> > > get a movie done, but I will not do that. I believe it is better to
> > provide
> > > the information from which you can learn on your own. It's a bit of the
> > old
> > > "give a man a fish and you feed him for a day; teach a man to fish and
> > you
> > > feed him for a lifetime" proverb. The fact you waited a full weekend
> > > instead of spending a couple of minutes searching and trying yourself
> > tells
> > > me that you're most likely just interested in the "fish", but I'll
> stick
> > to
> > > my belief that learning is better.
> > >
> > > /J
> > >
> > >
> > > On Mon, Apr 24, 2017 at 9:24 AM, Anshul Lahariya <
> > > anshullahariy...@gmail.com
> > > > wrote:
> > >
> > > > hello rahul,
> > > > can u tell me how to make movie??
> > > >
> > > >
> > > > On Fri, Apr 21, 2017 at 3:12 PM, João Henriques <
> > > > joao.m.a.henriq...@gmail.com> wrote:
> > > >
> > > > > ​Plus, installing multiple version of the same software (e.g. gcc)
> is
> > > not
> > > > > problematic at all *when done by someone that knows what he/she is
> > > > doing*.
> > > > > Furthermore, I completely disagree with Vytautas Rakeviius final
> > > advice.
> > > > It
> > > > > wouldn't cross anyone's mind to change OS in order to use a
> different
> > > gcc
> > > > > version. That is ludicrous. I obviously don't recommend that an
> > > > > inexperienced user should start compiling stuff blindly on their
> > > machine,
> > > > > but that is just plain bad practice and impractical.
> > > > >
> > > > > But I digress, this is not really GROMACS related.
> > > > >
> > > > > A nice weekend to everyone!
> > > > > João
> > > > >
> > > > > On Fri, Apr 21, 2017 at 11:21 AM, João Henriques <
> > > > > joao.m.a.henriq...@gmail.com> wrote:
> > > > >
> > > > > > You have (at the very least) three solutions regarding the movie:
> > > > > >
> > > > > > [1] Use gmx trjconv (see http://manual.gromacs.org/
> > > > documentation/5.1.4/
> > > > > > onlinehelp/gmx-trjconv.html) to generate a PDB file with the
> > desired
> > > > > > trajectory frames. Load and play it in PyMOL et voilà!
> > > > > >
> > > > > > [2] Install the GROMACS plugin for PyMOL, which will allow you
> > (among
> > > > > > other things) to directly read the trajectory files without
> having
> > to
> > > > > > resort to gmx trjconv (see https://pymolwiki.org/index.
> > > > > php/GROMACS_Plugin
> > > > > > ).
> > > > > >
> > > > > > [3] Use VMD which can read GROMACS trajectory output files
> straight
> > > out
> > > > > of
> > > > > > the box (see http://www.ks.uiuc.edu/Research/vmd/).
> > > > > >
> > > > > > For details regarding gmx trjconv please read the documentation.
> It
> > > is
> > > > > > fairly trivial and only you know exactly what 

Re: [gmx-users] Gcc

[Anshul Lahariya]

Dear Joao,

U r right, it's my fault, but the thing is that i was tried lot of thing
but not found anything perfect. That's by , i was waiting from weekend for
one answer.


On Mon, Apr 24, 2017 at 2:53 PM, João Henriques <
joao.m.a.henriq...@gmail.com> wrote:

> Dear Mark and by extension Anshul,
>
> I did make an assumption at the bottom of my previous email, and that was
> uncalled for (despite having good intentions, but that doesn't change
> anything). I apologize for that. That, however, does not overshadow the
> fact that I provided Anshul with all the necessary information in a most
> friendly, voluntary and professional way throughout three separate emails.
>
> Best regards,
> João
>
> On Mon, Apr 24, 2017 at 11:09 AM, Mark Abraham 
> wrote:
>
> > Hi Joao, Anshul and all,
> >
> > Let's all please remember to keep the environment friendly and
> > professional.
> >
> > That means not making assumptions about other people's intentions.
> Learning
> > complex things like simulation science take time, and people often make
> > mistakes when joining new communities, particularly if it's in a language
> > with which they are not fully familiar. :-)
> >
> > That also means remembering that everybody here is volunteering their
> time
> > to help others, and asking only for some of that time when you really
> need
> > it is important if you wish to keep others motivated to help you. Look
> for
> > your own answers first!
> >
> > Please all take a moment to review the thoughts at
> > http://www.gromacs.org/Support/Mailing_Lists (or suggest improvements!)
> >
> > Cheers,
> >
> > Mark
> >
> > On Mon, Apr 24, 2017 at 10:39 AM João Henriques <
> > joao.m.a.henriq...@gmail.com> wrote:
> >
> > > Dear Anshul,
> > >
> > > I thought by movie you meant that you wanted to visually check the
> > > trajectory. ​For PyMOL, google search "pymol movie" produces about
> 31.000
> > > results in 0,31 seconds. The first hit is exactly what you want:
> > >
> > > https://pymolwiki.org/index.php/MovieSchool
> > >
> > > My previous email will still be valid as you'll first need to make
> PyMOL
> > > read your trajectory.
> > >
> > > - - -
> > >
> > > I know you want the exact array of commands you need to input in order
> to
> > > get a movie done, but I will not do that. I believe it is better to
> > provide
> > > the information from which you can learn on your own. It's a bit of the
> > old
> > > "give a man a fish and you feed him for a day; teach a man to fish and
> > you
> > > feed him for a lifetime" proverb. The fact you waited a full weekend
> > > instead of spending a couple of minutes searching and trying yourself
> > tells
> > > me that you're most likely just interested in the "fish", but I'll
> stick
> > to
> > > my belief that learning is better.
> > >
> > > /J
> > >
> > >
> > > On Mon, Apr 24, 2017 at 9:24 AM, Anshul Lahariya <
> > > anshullahariy...@gmail.com
> > > > wrote:
> > >
> > > > hello rahul,
> > > > can u tell me how to make movie??
> > > >
> > > >
> > > > On Fri, Apr 21, 2017 at 3:12 PM, João Henriques <
> > > > joao.m.a.henriq...@gmail.com> wrote:
> > > >
> > > > > ​Plus, installing multiple version of the same software (e.g. gcc)
> is
> > > not
> > > > > problematic at all *when done by someone that knows what he/she is
> > > > doing*.
> > > > > Furthermore, I completely disagree with Vytautas Rakeviius final
> > > advice.
> > > > It
> > > > > wouldn't cross anyone's mind to change OS in order to use a
> different
> > > gcc
> > > > > version. That is ludicrous. I obviously don't recommend that an
> > > > > inexperienced user should start compiling stuff blindly on their
> > > machine,
> > > > > but that is just plain bad practice and impractical.
> > > > >
> > > > > But I digress, this is not really GROMACS related.
> > > > >
> > > > > A nice weekend to everyone!
> > > > > João
> > > > >
> > > > > On Fri, Apr 21, 2017 at 11:21 AM, João Henriques <
> > > > > joao.m.a.henriq...@gmail.com> wrote:
> > > > >
> > > > > > You have (at the very least) three solutions regarding the movie:
> > > > > >
> > > > > > [1] Use gmx trjconv (see http://manual.gromacs.org/
> > > > documentation/5.1.4/
> > > > > > onlinehelp/gmx-trjconv.html) to generate a PDB file with the
> > desired
> > > > > > trajectory frames. Load and play it in PyMOL et voilà!
> > > > > >
> > > > > > [2] Install the GROMACS plugin for PyMOL, which will allow you
> > (among
> > > > > > other things) to directly read the trajectory files without
> having
> > to
> > > > > > resort to gmx trjconv (see https://pymolwiki.org/index.
> > > > > php/GROMACS_Plugin
> > > > > > ).
> > > > > >
> > > > > > [3] Use VMD which can read GROMACS trajectory output files
> straight
> > > out
> > > > > of
> > > > > > the box (see http://www.ks.uiuc.edu/Research/vmd/).
> > > > > >
> > > > > > For details regarding gmx trjconv please read the documentation.
> It
> > > is
> > > > > > fairly trivial and only you know exactly what system you have 

Re: [gmx-users] Gcc

[João Henriques]

Dear Mark and by extension Anshul,

I did make an assumption at the bottom of my previous email, and that was
uncalled for (despite having good intentions, but that doesn't change
anything). I apologize for that. That, however, does not overshadow the
fact that I provided Anshul with all the necessary information in a most
friendly, voluntary and professional way throughout three separate emails.

Best regards,
João

On Mon, Apr 24, 2017 at 11:09 AM, Mark Abraham 
wrote:

> Hi Joao, Anshul and all,
>
> Let's all please remember to keep the environment friendly and
> professional.
>
> That means not making assumptions about other people's intentions. Learning
> complex things like simulation science take time, and people often make
> mistakes when joining new communities, particularly if it's in a language
> with which they are not fully familiar. :-)
>
> That also means remembering that everybody here is volunteering their time
> to help others, and asking only for some of that time when you really need
> it is important if you wish to keep others motivated to help you. Look for
> your own answers first!
>
> Please all take a moment to review the thoughts at
> http://www.gromacs.org/Support/Mailing_Lists (or suggest improvements!)
>
> Cheers,
>
> Mark
>
> On Mon, Apr 24, 2017 at 10:39 AM João Henriques <
> joao.m.a.henriq...@gmail.com> wrote:
>
> > Dear Anshul,
> >
> > I thought by movie you meant that you wanted to visually check the
> > trajectory. ​For PyMOL, google search "pymol movie" produces about 31.000
> > results in 0,31 seconds. The first hit is exactly what you want:
> >
> > https://pymolwiki.org/index.php/MovieSchool
> >
> > My previous email will still be valid as you'll first need to make PyMOL
> > read your trajectory.
> >
> > - - -
> >
> > I know you want the exact array of commands you need to input in order to
> > get a movie done, but I will not do that. I believe it is better to
> provide
> > the information from which you can learn on your own. It's a bit of the
> old
> > "give a man a fish and you feed him for a day; teach a man to fish and
> you
> > feed him for a lifetime" proverb. The fact you waited a full weekend
> > instead of spending a couple of minutes searching and trying yourself
> tells
> > me that you're most likely just interested in the "fish", but I'll stick
> to
> > my belief that learning is better.
> >
> > /J
> >
> >
> > On Mon, Apr 24, 2017 at 9:24 AM, Anshul Lahariya <
> > anshullahariy...@gmail.com
> > > wrote:
> >
> > > hello rahul,
> > > can u tell me how to make movie??
> > >
> > >
> > > On Fri, Apr 21, 2017 at 3:12 PM, João Henriques <
> > > joao.m.a.henriq...@gmail.com> wrote:
> > >
> > > > ​Plus, installing multiple version of the same software (e.g. gcc) is
> > not
> > > > problematic at all *when done by someone that knows what he/she is
> > > doing*.
> > > > Furthermore, I completely disagree with Vytautas Rakeviius final
> > advice.
> > > It
> > > > wouldn't cross anyone's mind to change OS in order to use a different
> > gcc
> > > > version. That is ludicrous. I obviously don't recommend that an
> > > > inexperienced user should start compiling stuff blindly on their
> > machine,
> > > > but that is just plain bad practice and impractical.
> > > >
> > > > But I digress, this is not really GROMACS related.
> > > >
> > > > A nice weekend to everyone!
> > > > João
> > > >
> > > > On Fri, Apr 21, 2017 at 11:21 AM, João Henriques <
> > > > joao.m.a.henriq...@gmail.com> wrote:
> > > >
> > > > > You have (at the very least) three solutions regarding the movie:
> > > > >
> > > > > [1] Use gmx trjconv (see http://manual.gromacs.org/
> > > documentation/5.1.4/
> > > > > onlinehelp/gmx-trjconv.html) to generate a PDB file with the
> desired
> > > > > trajectory frames. Load and play it in PyMOL et voilà!
> > > > >
> > > > > [2] Install the GROMACS plugin for PyMOL, which will allow you
> (among
> > > > > other things) to directly read the trajectory files without having
> to
> > > > > resort to gmx trjconv (see https://pymolwiki.org/index.
> > > > php/GROMACS_Plugin
> > > > > ).
> > > > >
> > > > > [3] Use VMD which can read GROMACS trajectory output files straight
> > out
> > > > of
> > > > > the box (see http://www.ks.uiuc.edu/Research/vmd/).
> > > > >
> > > > > For details regarding gmx trjconv please read the documentation. It
> > is
> > > > > fairly trivial and only you know exactly what system you have at
> > hand.
> > > > Some
> > > > > options will vary depending on that.
> > > > >
> > > > > - - -
> > > > >
> > > > > Regarding gcc, depending on your operating system you can either
> use
> > a
> > > > > package manager to install the desired version of gcc or compile it
> > > > > yourself. After installing it don't forget to make sure GROMACS
> knows
> > > > where
> > > > > to search for it, using the -DCMAKE_C_COMPILER=/path/to/gcc flag
> when
> > > > > running cmake (and probably also -DCMAKE_CXX_COMPILER=/path/to/
> c++).
> > 

Re: [gmx-users] Gcc

[Mark Abraham]

Hi Joao, Anshul and all,

Let's all please remember to keep the environment friendly and professional.

That means not making assumptions about other people's intentions. Learning
complex things like simulation science take time, and people often make
mistakes when joining new communities, particularly if it's in a language
with which they are not fully familiar. :-)

That also means remembering that everybody here is volunteering their time
to help others, and asking only for some of that time when you really need
it is important if you wish to keep others motivated to help you. Look for
your own answers first!

Please all take a moment to review the thoughts at
http://www.gromacs.org/Support/Mailing_Lists (or suggest improvements!)

Cheers,

Mark

On Mon, Apr 24, 2017 at 10:39 AM João Henriques <
joao.m.a.henriq...@gmail.com> wrote:

> Dear Anshul,
>
> I thought by movie you meant that you wanted to visually check the
> trajectory. ​For PyMOL, google search "pymol movie" produces about 31.000
> results in 0,31 seconds. The first hit is exactly what you want:
>
> https://pymolwiki.org/index.php/MovieSchool
>
> My previous email will still be valid as you'll first need to make PyMOL
> read your trajectory.
>
> - - -
>
> I know you want the exact array of commands you need to input in order to
> get a movie done, but I will not do that. I believe it is better to provide
> the information from which you can learn on your own. It's a bit of the old
> "give a man a fish and you feed him for a day; teach a man to fish and you
> feed him for a lifetime" proverb. The fact you waited a full weekend
> instead of spending a couple of minutes searching and trying yourself tells
> me that you're most likely just interested in the "fish", but I'll stick to
> my belief that learning is better.
>
> /J
>
>
> On Mon, Apr 24, 2017 at 9:24 AM, Anshul Lahariya <
> anshullahariy...@gmail.com
> > wrote:
>
> > hello rahul,
> > can u tell me how to make movie??
> >
> >
> > On Fri, Apr 21, 2017 at 3:12 PM, João Henriques <
> > joao.m.a.henriq...@gmail.com> wrote:
> >
> > > ​Plus, installing multiple version of the same software (e.g. gcc) is
> not
> > > problematic at all *when done by someone that knows what he/she is
> > doing*.
> > > Furthermore, I completely disagree with Vytautas Rakeviius final
> advice.
> > It
> > > wouldn't cross anyone's mind to change OS in order to use a different
> gcc
> > > version. That is ludicrous. I obviously don't recommend that an
> > > inexperienced user should start compiling stuff blindly on their
> machine,
> > > but that is just plain bad practice and impractical.
> > >
> > > But I digress, this is not really GROMACS related.
> > >
> > > A nice weekend to everyone!
> > > João
> > >
> > > On Fri, Apr 21, 2017 at 11:21 AM, João Henriques <
> > > joao.m.a.henriq...@gmail.com> wrote:
> > >
> > > > You have (at the very least) three solutions regarding the movie:
> > > >
> > > > [1] Use gmx trjconv (see http://manual.gromacs.org/
> > documentation/5.1.4/
> > > > onlinehelp/gmx-trjconv.html) to generate a PDB file with the desired
> > > > trajectory frames. Load and play it in PyMOL et voilà!
> > > >
> > > > [2] Install the GROMACS plugin for PyMOL, which will allow you (among
> > > > other things) to directly read the trajectory files without having to
> > > > resort to gmx trjconv (see https://pymolwiki.org/index.
> > > php/GROMACS_Plugin
> > > > ).
> > > >
> > > > [3] Use VMD which can read GROMACS trajectory output files straight
> out
> > > of
> > > > the box (see http://www.ks.uiuc.edu/Research/vmd/).
> > > >
> > > > For details regarding gmx trjconv please read the documentation. It
> is
> > > > fairly trivial and only you know exactly what system you have at
> hand.
> > > Some
> > > > options will vary depending on that.
> > > >
> > > > - - -
> > > >
> > > > Regarding gcc, depending on your operating system you can either use
> a
> > > > package manager to install the desired version of gcc or compile it
> > > > yourself. After installing it don't forget to make sure GROMACS knows
> > > where
> > > > to search for it, using the -DCMAKE_C_COMPILER=/path/to/gcc flag when
> > > > running cmake (and probably also -DCMAKE_CXX_COMPILER=/path/to/c++).
> > > > These paths are obviously fictitious and need to be changed with the
> > > right
> > > > ones.
> > > >
> > > > Best regards,
> > > > João
> > > >
> > > > On Fri, Apr 21, 2017 at 10:47 AM, Anshul Lahariya <
> > > > anshullahariy...@gmail.com> wrote:
> > > >
> > > >> okkk. it's fine...
> > > >>
> > > >>
> > > >> On Fri, Apr 21, 2017 at 1:06 PM, RAHUL SURESH <
> > drrahulsur...@gmail.com>
> > > >> wrote:
> > > >>
> > > >> > I am out
> > > >> > Can I say that to u on Monday.) ?
> > > >> > On Fri, 21 Apr 2017 at 10:28 AM, Anshul Lahariya <
> > > >> > anshullahariy...@gmail.com>
> > > >> > wrote:
> > > >> >
> > > >> > > yes rahul, i use pymol but dont know how to make movie
> > > >> > >
> > > >> > >
> > > >> > > On Fri, Apr 21, 2017 at 10:09 AM, 

Re: [gmx-users] Gcc

[João Henriques]

Dear Anshul,

I thought by movie you meant that you wanted to visually check the
trajectory. ​For PyMOL, google search "pymol movie" produces about 31.000
results in 0,31 seconds. The first hit is exactly what you want:

https://pymolwiki.org/index.php/MovieSchool

My previous email will still be valid as you'll first need to make PyMOL
read your trajectory.

- - -

I know you want the exact array of commands you need to input in order to
get a movie done, but I will not do that. I believe it is better to provide
the information from which you can learn on your own. It's a bit of the old
"give a man a fish and you feed him for a day; teach a man to fish and you
feed him for a lifetime" proverb. The fact you waited a full weekend
instead of spending a couple of minutes searching and trying yourself tells
me that you're most likely just interested in the "fish", but I'll stick to
my belief that learning is better.

/J


On Mon, Apr 24, 2017 at 9:24 AM, Anshul Lahariya  wrote:

> hello rahul,
> can u tell me how to make movie??
>
>
> On Fri, Apr 21, 2017 at 3:12 PM, João Henriques <
> joao.m.a.henriq...@gmail.com> wrote:
>
> > ​Plus, installing multiple version of the same software (e.g. gcc) is not
> > problematic at all *when done by someone that knows what he/she is
> doing*.
> > Furthermore, I completely disagree with Vytautas Rakeviius final advice.
> It
> > wouldn't cross anyone's mind to change OS in order to use a different gcc
> > version. That is ludicrous. I obviously don't recommend that an
> > inexperienced user should start compiling stuff blindly on their machine,
> > but that is just plain bad practice and impractical.
> >
> > But I digress, this is not really GROMACS related.
> >
> > A nice weekend to everyone!
> > João
> >
> > On Fri, Apr 21, 2017 at 11:21 AM, João Henriques <
> > joao.m.a.henriq...@gmail.com> wrote:
> >
> > > You have (at the very least) three solutions regarding the movie:
> > >
> > > [1] Use gmx trjconv (see http://manual.gromacs.org/
> documentation/5.1.4/
> > > onlinehelp/gmx-trjconv.html) to generate a PDB file with the desired
> > > trajectory frames. Load and play it in PyMOL et voilà!
> > >
> > > [2] Install the GROMACS plugin for PyMOL, which will allow you (among
> > > other things) to directly read the trajectory files without having to
> > > resort to gmx trjconv (see https://pymolwiki.org/index.
> > php/GROMACS_Plugin
> > > ).
> > >
> > > [3] Use VMD which can read GROMACS trajectory output files straight out
> > of
> > > the box (see http://www.ks.uiuc.edu/Research/vmd/).
> > >
> > > For details regarding gmx trjconv please read the documentation. It is
> > > fairly trivial and only you know exactly what system you have at hand.
> > Some
> > > options will vary depending on that.
> > >
> > > - - -
> > >
> > > Regarding gcc, depending on your operating system you can either use a
> > > package manager to install the desired version of gcc or compile it
> > > yourself. After installing it don't forget to make sure GROMACS knows
> > where
> > > to search for it, using the -DCMAKE_C_COMPILER=/path/to/gcc flag when
> > > running cmake (and probably also -DCMAKE_CXX_COMPILER=/path/to/c++).
> > > These paths are obviously fictitious and need to be changed with the
> > right
> > > ones.
> > >
> > > Best regards,
> > > João
> > >
> > > On Fri, Apr 21, 2017 at 10:47 AM, Anshul Lahariya <
> > > anshullahariy...@gmail.com> wrote:
> > >
> > >> okkk. it's fine...
> > >>
> > >>
> > >> On Fri, Apr 21, 2017 at 1:06 PM, RAHUL SURESH <
> drrahulsur...@gmail.com>
> > >> wrote:
> > >>
> > >> > I am out
> > >> > Can I say that to u on Monday.) ?
> > >> > On Fri, 21 Apr 2017 at 10:28 AM, Anshul Lahariya <
> > >> > anshullahariy...@gmail.com>
> > >> > wrote:
> > >> >
> > >> > > yes rahul, i use pymol but dont know how to make movie
> > >> > >
> > >> > >
> > >> > > On Fri, Apr 21, 2017 at 10:09 AM, RAHUL SURESH <
> > >> drrahulsur...@gmail.com>
> > >> > > wrote:
> > >> > >
> > >> > > > You must use pymol
> > >> > > >
> > >> > > >
> > >> > > > On Fri, 21 Apr 2017 at 6:35 AM, Anshul Lahariya <
> > >> > > > anshullahariy...@gmail.com>
> > >> > > > wrote:
> > >> > > >
> > >> > > > > thanks rahul
> > >> > > > >
> > >> > > > >
> > >> > > > > and how to make md movie for 5ns by command.??
> > >> > > > >
> > >> > > > >
> > >> > > > > On Thu, Apr 20, 2017 at 5:54 PM, RAHUL SURESH <
> > >> > drrahulsur...@gmail.com
> > >> > > >
> > >> > > > > wrote:
> > >> > > > >
> > >> > > > > > Yum apt-get gcc version
> > >> > > > > > Yum update
> > >> > > > > > Yum upgrade
> > >> > > > > > Yum install
> > >> > > > > >
> > >> > > > > >
> > >> > > > > > On Thu, 20 Apr 2017 at 5:23 PM, Mark Abraham <
> > >> > > mark.j.abra...@gmail.com
> > >> > > > >
> > >> > > > > > wrote:
> > >> > > > > >
> > >> > > > > > > Hi,
> > >> > > > > > >
> > >> > > > > > > That's a good question for google or the forums of your
> > >> operating
> > >> > > > > system,
> > >> > > > > > > not here. :-)
> > 

Re: [gmx-users] Gcc

[Mark Abraham]

Hi,

Please search for information before asking. Google has plenty of good hits
for "make md movie" for example.

Mark

On Mon, 24 Apr 2017 09:24 Anshul Lahariya 
wrote:

> hello rahul,
> can u tell me how to make movie??
>
>
> On Fri, Apr 21, 2017 at 3:12 PM, João Henriques <
> joao.m.a.henriq...@gmail.com> wrote:
>
> > ​Plus, installing multiple version of the same software (e.g. gcc) is not
> > problematic at all *when done by someone that knows what he/she is
> doing*.
> > Furthermore, I completely disagree with Vytautas Rakeviius final advice.
> It
> > wouldn't cross anyone's mind to change OS in order to use a different gcc
> > version. That is ludicrous. I obviously don't recommend that an
> > inexperienced user should start compiling stuff blindly on their machine,
> > but that is just plain bad practice and impractical.
> >
> > But I digress, this is not really GROMACS related.
> >
> > A nice weekend to everyone!
> > João
> >
> > On Fri, Apr 21, 2017 at 11:21 AM, João Henriques <
> > joao.m.a.henriq...@gmail.com> wrote:
> >
> > > You have (at the very least) three solutions regarding the movie:
> > >
> > > [1] Use gmx trjconv (see
> http://manual.gromacs.org/documentation/5.1.4/
> > > onlinehelp/gmx-trjconv.html) to generate a PDB file with the desired
> > > trajectory frames. Load and play it in PyMOL et voilà!
> > >
> > > [2] Install the GROMACS plugin for PyMOL, which will allow you (among
> > > other things) to directly read the trajectory files without having to
> > > resort to gmx trjconv (see https://pymolwiki.org/index.
> > php/GROMACS_Plugin
> > > ).
> > >
> > > [3] Use VMD which can read GROMACS trajectory output files straight out
> > of
> > > the box (see http://www.ks.uiuc.edu/Research/vmd/).
> > >
> > > For details regarding gmx trjconv please read the documentation. It is
> > > fairly trivial and only you know exactly what system you have at hand.
> > Some
> > > options will vary depending on that.
> > >
> > > - - -
> > >
> > > Regarding gcc, depending on your operating system you can either use a
> > > package manager to install the desired version of gcc or compile it
> > > yourself. After installing it don't forget to make sure GROMACS knows
> > where
> > > to search for it, using the -DCMAKE_C_COMPILER=/path/to/gcc flag when
> > > running cmake (and probably also -DCMAKE_CXX_COMPILER=/path/to/c++).
> > > These paths are obviously fictitious and need to be changed with the
> > right
> > > ones.
> > >
> > > Best regards,
> > > João
> > >
> > > On Fri, Apr 21, 2017 at 10:47 AM, Anshul Lahariya <
> > > anshullahariy...@gmail.com> wrote:
> > >
> > >> okkk. it's fine...
> > >>
> > >>
> > >> On Fri, Apr 21, 2017 at 1:06 PM, RAHUL SURESH <
> drrahulsur...@gmail.com>
> > >> wrote:
> > >>
> > >> > I am out
> > >> > Can I say that to u on Monday.) ?
> > >> > On Fri, 21 Apr 2017 at 10:28 AM, Anshul Lahariya <
> > >> > anshullahariy...@gmail.com>
> > >> > wrote:
> > >> >
> > >> > > yes rahul, i use pymol but dont know how to make movie
> > >> > >
> > >> > >
> > >> > > On Fri, Apr 21, 2017 at 10:09 AM, RAHUL SURESH <
> > >> drrahulsur...@gmail.com>
> > >> > > wrote:
> > >> > >
> > >> > > > You must use pymol
> > >> > > >
> > >> > > >
> > >> > > > On Fri, 21 Apr 2017 at 6:35 AM, Anshul Lahariya <
> > >> > > > anshullahariy...@gmail.com>
> > >> > > > wrote:
> > >> > > >
> > >> > > > > thanks rahul
> > >> > > > >
> > >> > > > >
> > >> > > > > and how to make md movie for 5ns by command.??
> > >> > > > >
> > >> > > > >
> > >> > > > > On Thu, Apr 20, 2017 at 5:54 PM, RAHUL SURESH <
> > >> > drrahulsur...@gmail.com
> > >> > > >
> > >> > > > > wrote:
> > >> > > > >
> > >> > > > > > Yum apt-get gcc version
> > >> > > > > > Yum update
> > >> > > > > > Yum upgrade
> > >> > > > > > Yum install
> > >> > > > > >
> > >> > > > > >
> > >> > > > > > On Thu, 20 Apr 2017 at 5:23 PM, Mark Abraham <
> > >> > > mark.j.abra...@gmail.com
> > >> > > > >
> > >> > > > > > wrote:
> > >> > > > > >
> > >> > > > > > > Hi,
> > >> > > > > > >
> > >> > > > > > > That's a good question for google or the forums of your
> > >> operating
> > >> > > > > system,
> > >> > > > > > > not here. :-)
> > >> > > > > > >
> > >> > > > > > > Mark
> > >> > > > > > >
> > >> > > > > > > On Thu, 20 Apr 2017 12:42 Anshul Lahariya <
> > >> > > > anshullahariy...@gmail.com>
> > >> > > > > > > wrote:
> > >> > > > > > >
> > >> > > > > > > > hello,
> > >> > > > > > > >
> > >> > > > > > > > I want to change my gcc and want to install gcc version
> > >> later
> > >> > > than
> > >> > > > 5.
> > >> > > > > > > > what can i do so i can change the version of gcc to
> > >> gcc-4.9.4
> > >> > > > > > > > --
> > >> > > > > > > > Gromacs Users mailing list
> > >> > > > > > > >
> > >> > > > > > > > * Please search the archive at
> > >> > > > > > > > http://www.gromacs.org/Support/Mailing_Lists/GMX-
> > Users_List
> > >> > > before
> > >> > > > > > > > posting!
> > >> > > > > > > >
> > >> > > > > > > > * Can't post? Read 

Re: [gmx-users] Gcc

[Anshul Lahariya]

hello rahul,
can u tell me how to make movie??


On Fri, Apr 21, 2017 at 3:12 PM, João Henriques <
joao.m.a.henriq...@gmail.com> wrote:

> ​Plus, installing multiple version of the same software (e.g. gcc) is not
> problematic at all *when done by someone that knows what he/she is doing*.
> Furthermore, I completely disagree with Vytautas Rakeviius final advice. It
> wouldn't cross anyone's mind to change OS in order to use a different gcc
> version. That is ludicrous. I obviously don't recommend that an
> inexperienced user should start compiling stuff blindly on their machine,
> but that is just plain bad practice and impractical.
>
> But I digress, this is not really GROMACS related.
>
> A nice weekend to everyone!
> João
>
> On Fri, Apr 21, 2017 at 11:21 AM, João Henriques <
> joao.m.a.henriq...@gmail.com> wrote:
>
> > You have (at the very least) three solutions regarding the movie:
> >
> > [1] Use gmx trjconv (see http://manual.gromacs.org/documentation/5.1.4/
> > onlinehelp/gmx-trjconv.html) to generate a PDB file with the desired
> > trajectory frames. Load and play it in PyMOL et voilà!
> >
> > [2] Install the GROMACS plugin for PyMOL, which will allow you (among
> > other things) to directly read the trajectory files without having to
> > resort to gmx trjconv (see https://pymolwiki.org/index.
> php/GROMACS_Plugin
> > ).
> >
> > [3] Use VMD which can read GROMACS trajectory output files straight out
> of
> > the box (see http://www.ks.uiuc.edu/Research/vmd/).
> >
> > For details regarding gmx trjconv please read the documentation. It is
> > fairly trivial and only you know exactly what system you have at hand.
> Some
> > options will vary depending on that.
> >
> > - - -
> >
> > Regarding gcc, depending on your operating system you can either use a
> > package manager to install the desired version of gcc or compile it
> > yourself. After installing it don't forget to make sure GROMACS knows
> where
> > to search for it, using the -DCMAKE_C_COMPILER=/path/to/gcc flag when
> > running cmake (and probably also -DCMAKE_CXX_COMPILER=/path/to/c++).
> > These paths are obviously fictitious and need to be changed with the
> right
> > ones.
> >
> > Best regards,
> > João
> >
> > On Fri, Apr 21, 2017 at 10:47 AM, Anshul Lahariya <
> > anshullahariy...@gmail.com> wrote:
> >
> >> okkk. it's fine...
> >>
> >>
> >> On Fri, Apr 21, 2017 at 1:06 PM, RAHUL SURESH 
> >> wrote:
> >>
> >> > I am out
> >> > Can I say that to u on Monday.) ?
> >> > On Fri, 21 Apr 2017 at 10:28 AM, Anshul Lahariya <
> >> > anshullahariy...@gmail.com>
> >> > wrote:
> >> >
> >> > > yes rahul, i use pymol but dont know how to make movie
> >> > >
> >> > >
> >> > > On Fri, Apr 21, 2017 at 10:09 AM, RAHUL SURESH <
> >> drrahulsur...@gmail.com>
> >> > > wrote:
> >> > >
> >> > > > You must use pymol
> >> > > >
> >> > > >
> >> > > > On Fri, 21 Apr 2017 at 6:35 AM, Anshul Lahariya <
> >> > > > anshullahariy...@gmail.com>
> >> > > > wrote:
> >> > > >
> >> > > > > thanks rahul
> >> > > > >
> >> > > > >
> >> > > > > and how to make md movie for 5ns by command.??
> >> > > > >
> >> > > > >
> >> > > > > On Thu, Apr 20, 2017 at 5:54 PM, RAHUL SURESH <
> >> > drrahulsur...@gmail.com
> >> > > >
> >> > > > > wrote:
> >> > > > >
> >> > > > > > Yum apt-get gcc version
> >> > > > > > Yum update
> >> > > > > > Yum upgrade
> >> > > > > > Yum install
> >> > > > > >
> >> > > > > >
> >> > > > > > On Thu, 20 Apr 2017 at 5:23 PM, Mark Abraham <
> >> > > mark.j.abra...@gmail.com
> >> > > > >
> >> > > > > > wrote:
> >> > > > > >
> >> > > > > > > Hi,
> >> > > > > > >
> >> > > > > > > That's a good question for google or the forums of your
> >> operating
> >> > > > > system,
> >> > > > > > > not here. :-)
> >> > > > > > >
> >> > > > > > > Mark
> >> > > > > > >
> >> > > > > > > On Thu, 20 Apr 2017 12:42 Anshul Lahariya <
> >> > > > anshullahariy...@gmail.com>
> >> > > > > > > wrote:
> >> > > > > > >
> >> > > > > > > > hello,
> >> > > > > > > >
> >> > > > > > > > I want to change my gcc and want to install gcc version
> >> later
> >> > > than
> >> > > > 5.
> >> > > > > > > > what can i do so i can change the version of gcc to
> >> gcc-4.9.4
> >> > > > > > > > --
> >> > > > > > > > Gromacs Users mailing list
> >> > > > > > > >
> >> > > > > > > > * Please search the archive at
> >> > > > > > > > http://www.gromacs.org/Support/Mailing_Lists/GMX-
> Users_List
> >> > > before
> >> > > > > > > > posting!
> >> > > > > > > >
> >> > > > > > > > * Can't post? Read http://www.gromacs.org/
> >> > Support/Mailing_Lists
> >> > > > > > > >
> >> > > > > > > > * For (un)subscribe requests visit
> >> > > > > > > >
> >> > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users
> >> > > > > or
> >> > > > > > > > send a mail to gmx-users-requ...@gromacs.org.
> >> > > > > > > >
> >> > > > > > > --
> >> > > > > > > Gromacs Users mailing list
> >> > > > > > >
> >> > > > > > > * Please search the archive at
> >> > > > > > > 

Re: [gmx-users] Gcc

[João Henriques]

You have (at the very least) three solutions regarding the movie:

[1] Use gmx trjconv (see
http://manual.gromacs.org/documentation/5.1.4/onlinehelp/gmx-trjconv.html) to
generate a PDB file with the desired trajectory frames. Load and play it in
PyMOL et voilà!

[2] Install the GROMACS plugin for PyMOL, which will allow you (among other
things) to directly read the trajectory files without having to resort to
gmx trjconv (see https://pymolwiki.org/index.php/GROMACS_Plugin).

[3] Use VMD which can read GROMACS trajectory output files straight out of
the box (see http://www.ks.uiuc.edu/Research/vmd/).

For details regarding gmx trjconv please read the documentation. It is
fairly trivial and only you know exactly what system you have at hand. Some
options will vary depending on that.

- - -

Regarding gcc, depending on your operating system you can either use a
package manager to install the desired version of gcc or compile it
yourself. After installing it don't forget to make sure GROMACS knows where
to search for it, using the -DCMAKE_C_COMPILER=/path/to/gcc flag when
running cmake (and probably also -DCMAKE_CXX_COMPILER=/path/to/c++). These
paths are obviously fictitious and need to be changed with the right ones.

Best regards,
João

On Fri, Apr 21, 2017 at 10:47 AM, Anshul Lahariya <
anshullahariy...@gmail.com> wrote:

> okkk. it's fine...
>
>
> On Fri, Apr 21, 2017 at 1:06 PM, RAHUL SURESH 
> wrote:
>
> > I am out
> > Can I say that to u on Monday.) ?
> > On Fri, 21 Apr 2017 at 10:28 AM, Anshul Lahariya <
> > anshullahariy...@gmail.com>
> > wrote:
> >
> > > yes rahul, i use pymol but dont know how to make movie
> > >
> > >
> > > On Fri, Apr 21, 2017 at 10:09 AM, RAHUL SURESH <
> drrahulsur...@gmail.com>
> > > wrote:
> > >
> > > > You must use pymol
> > > >
> > > >
> > > > On Fri, 21 Apr 2017 at 6:35 AM, Anshul Lahariya <
> > > > anshullahariy...@gmail.com>
> > > > wrote:
> > > >
> > > > > thanks rahul
> > > > >
> > > > >
> > > > > and how to make md movie for 5ns by command.??
> > > > >
> > > > >
> > > > > On Thu, Apr 20, 2017 at 5:54 PM, RAHUL SURESH <
> > drrahulsur...@gmail.com
> > > >
> > > > > wrote:
> > > > >
> > > > > > Yum apt-get gcc version
> > > > > > Yum update
> > > > > > Yum upgrade
> > > > > > Yum install
> > > > > >
> > > > > >
> > > > > > On Thu, 20 Apr 2017 at 5:23 PM, Mark Abraham <
> > > mark.j.abra...@gmail.com
> > > > >
> > > > > > wrote:
> > > > > >
> > > > > > > Hi,
> > > > > > >
> > > > > > > That's a good question for google or the forums of your
> operating
> > > > > system,
> > > > > > > not here. :-)
> > > > > > >
> > > > > > > Mark
> > > > > > >
> > > > > > > On Thu, 20 Apr 2017 12:42 Anshul Lahariya <
> > > > anshullahariy...@gmail.com>
> > > > > > > wrote:
> > > > > > >
> > > > > > > > hello,
> > > > > > > >
> > > > > > > > I want to change my gcc and want to install gcc version later
> > > than
> > > > 5.
> > > > > > > > what can i do so i can change the version of gcc to gcc-4.9.4
> > > > > > > > --
> > > > > > > > Gromacs Users mailing list
> > > > > > > >
> > > > > > > > * Please search the archive at
> > > > > > > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List
> > > before
> > > > > > > > posting!
> > > > > > > >
> > > > > > > > * Can't post? Read http://www.gromacs.org/
> > Support/Mailing_Lists
> > > > > > > >
> > > > > > > > * For (un)subscribe requests visit
> > > > > > > >
> > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users
> > > > > or
> > > > > > > > send a mail to gmx-users-requ...@gromacs.org.
> > > > > > > >
> > > > > > > --
> > > > > > > Gromacs Users mailing list
> > > > > > >
> > > > > > > * Please search the archive at
> > > > > > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List
> > before
> > > > > > > posting!
> > > > > > >
> > > > > > > * Can't post? Read http://www.gromacs.org/
> Support/Mailing_Lists
> > > > > > >
> > > > > > > * For (un)subscribe requests visit
> > > > > > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_
> > gmx-users
> > > > or
> > > > > > > send a mail to gmx-users-requ...@gromacs.org.
> > > > > > >
> > > > > > --
> > > > > > *Regards,*
> > > > > > *Rahul Suresh*
> > > > > > *Research Scholar*
> > > > > > *Bharathiar University*
> > > > > > *Coimbatore*
> > > > > > --
> > > > > > Gromacs Users mailing list
> > > > > >
> > > > > > * Please search the archive at http://www.gromacs.org/
> > > > > > Support/Mailing_Lists/GMX-Users_List before posting!
> > > > > >
> > > > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> > > > > >
> > > > > > * For (un)subscribe requests visit
> > > > > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_
> gmx-users
> > > or
> > > > > > send a mail to gmx-users-requ...@gromacs.org.
> > > > > >
> > > > > --
> > > > > Gromacs Users mailing list
> > > > >
> > > > > * Please search the archive at
> > > > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > > > > posting!

Re: [gmx-users] Gcc

[Anshul Lahariya]

okkk. it's fine...


On Fri, Apr 21, 2017 at 1:06 PM, RAHUL SURESH 
wrote:

> I am out
> Can I say that to u on Monday.) ?
> On Fri, 21 Apr 2017 at 10:28 AM, Anshul Lahariya <
> anshullahariy...@gmail.com>
> wrote:
>
> > yes rahul, i use pymol but dont know how to make movie
> >
> >
> > On Fri, Apr 21, 2017 at 10:09 AM, RAHUL SURESH 
> > wrote:
> >
> > > You must use pymol
> > >
> > >
> > > On Fri, 21 Apr 2017 at 6:35 AM, Anshul Lahariya <
> > > anshullahariy...@gmail.com>
> > > wrote:
> > >
> > > > thanks rahul
> > > >
> > > >
> > > > and how to make md movie for 5ns by command.??
> > > >
> > > >
> > > > On Thu, Apr 20, 2017 at 5:54 PM, RAHUL SURESH <
> drrahulsur...@gmail.com
> > >
> > > > wrote:
> > > >
> > > > > Yum apt-get gcc version
> > > > > Yum update
> > > > > Yum upgrade
> > > > > Yum install
> > > > >
> > > > >
> > > > > On Thu, 20 Apr 2017 at 5:23 PM, Mark Abraham <
> > mark.j.abra...@gmail.com
> > > >
> > > > > wrote:
> > > > >
> > > > > > Hi,
> > > > > >
> > > > > > That's a good question for google or the forums of your operating
> > > > system,
> > > > > > not here. :-)
> > > > > >
> > > > > > Mark
> > > > > >
> > > > > > On Thu, 20 Apr 2017 12:42 Anshul Lahariya <
> > > anshullahariy...@gmail.com>
> > > > > > wrote:
> > > > > >
> > > > > > > hello,
> > > > > > >
> > > > > > > I want to change my gcc and want to install gcc version later
> > than
> > > 5.
> > > > > > > what can i do so i can change the version of gcc to gcc-4.9.4
> > > > > > > --
> > > > > > > Gromacs Users mailing list
> > > > > > >
> > > > > > > * Please search the archive at
> > > > > > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List
> > before
> > > > > > > posting!
> > > > > > >
> > > > > > > * Can't post? Read http://www.gromacs.org/
> Support/Mailing_Lists
> > > > > > >
> > > > > > > * For (un)subscribe requests visit
> > > > > > >
> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users
> > > > or
> > > > > > > send a mail to gmx-users-requ...@gromacs.org.
> > > > > > >
> > > > > > --
> > > > > > Gromacs Users mailing list
> > > > > >
> > > > > > * Please search the archive at
> > > > > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List
> before
> > > > > > posting!
> > > > > >
> > > > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> > > > > >
> > > > > > * For (un)subscribe requests visit
> > > > > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_
> gmx-users
> > > or
> > > > > > send a mail to gmx-users-requ...@gromacs.org.
> > > > > >
> > > > > --
> > > > > *Regards,*
> > > > > *Rahul Suresh*
> > > > > *Research Scholar*
> > > > > *Bharathiar University*
> > > > > *Coimbatore*
> > > > > --
> > > > > Gromacs Users mailing list
> > > > >
> > > > > * Please search the archive at http://www.gromacs.org/
> > > > > Support/Mailing_Lists/GMX-Users_List before posting!
> > > > >
> > > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> > > > >
> > > > > * For (un)subscribe requests visit
> > > > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users
> > or
> > > > > send a mail to gmx-users-requ...@gromacs.org.
> > > > >
> > > > --
> > > > Gromacs Users mailing list
> > > >
> > > > * Please search the archive at
> > > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > > > posting!
> > > >
> > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> > > >
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> > > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users
> or
> > > > send a mail to gmx-users-requ...@gromacs.org.
> > > >
> > > --
> > > *Regards,*
> > > *Rahul Suresh*
> > > *Research Scholar*
> > > *Bharathiar University*
> > > *Coimbatore*
> > > --
> > > Gromacs Users mailing list
> > >
> > > * Please search the archive at http://www.gromacs.org/
> > > Support/Mailing_Lists/GMX-Users_List before posting!
> > >
> > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> > >
> > > * For (un)subscribe requests visit
> > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > > send a mail to gmx-users-requ...@gromacs.org.
> > >
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at
> > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > posting!
> >
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >
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> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > send a mail to gmx-users-requ...@gromacs.org.
> >
> --
> *Regards,*
> *Rahul Suresh*
> *Research Scholar*
> *Bharathiar University*
> *Coimbatore*
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> 

Re: [gmx-users] Gcc

[RAHUL SURESH]

I am out
Can I say that to u on Monday.) ?
On Fri, 21 Apr 2017 at 10:28 AM, Anshul Lahariya 
wrote:

> yes rahul, i use pymol but dont know how to make movie
>
>
> On Fri, Apr 21, 2017 at 10:09 AM, RAHUL SURESH 
> wrote:
>
> > You must use pymol
> >
> >
> > On Fri, 21 Apr 2017 at 6:35 AM, Anshul Lahariya <
> > anshullahariy...@gmail.com>
> > wrote:
> >
> > > thanks rahul
> > >
> > >
> > > and how to make md movie for 5ns by command.??
> > >
> > >
> > > On Thu, Apr 20, 2017 at 5:54 PM, RAHUL SURESH  >
> > > wrote:
> > >
> > > > Yum apt-get gcc version
> > > > Yum update
> > > > Yum upgrade
> > > > Yum install
> > > >
> > > >
> > > > On Thu, 20 Apr 2017 at 5:23 PM, Mark Abraham <
> mark.j.abra...@gmail.com
> > >
> > > > wrote:
> > > >
> > > > > Hi,
> > > > >
> > > > > That's a good question for google or the forums of your operating
> > > system,
> > > > > not here. :-)
> > > > >
> > > > > Mark
> > > > >
> > > > > On Thu, 20 Apr 2017 12:42 Anshul Lahariya <
> > anshullahariy...@gmail.com>
> > > > > wrote:
> > > > >
> > > > > > hello,
> > > > > >
> > > > > > I want to change my gcc and want to install gcc version later
> than
> > 5.
> > > > > > what can i do so i can change the version of gcc to gcc-4.9.4
> > > > > > --
> > > > > > Gromacs Users mailing list
> > > > > >
> > > > > > * Please search the archive at
> > > > > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List
> before
> > > > > > posting!
> > > > > >
> > > > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> > > > > >
> > > > > > * For (un)subscribe requests visit
> > > > > >
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users
> > > or
> > > > > > send a mail to gmx-users-requ...@gromacs.org.
> > > > > >
> > > > > --
> > > > > Gromacs Users mailing list
> > > > >
> > > > > * Please search the archive at
> > > > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > > > > posting!
> > > > >
> > > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> > > > >
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> > > > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users
> > or
> > > > > send a mail to gmx-users-requ...@gromacs.org.
> > > > >
> > > > --
> > > > *Regards,*
> > > > *Rahul Suresh*
> > > > *Research Scholar*
> > > > *Bharathiar University*
> > > > *Coimbatore*
> > > > --
> > > > Gromacs Users mailing list
> > > >
> > > > * Please search the archive at http://www.gromacs.org/
> > > > Support/Mailing_Lists/GMX-Users_List before posting!
> > > >
> > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> > > >
> > > > * For (un)subscribe requests visit
> > > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users
> or
> > > > send a mail to gmx-users-requ...@gromacs.org.
> > > >
> > > --
> > > Gromacs Users mailing list
> > >
> > > * Please search the archive at
> > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > > posting!
> > >
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> > >
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> > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > > send a mail to gmx-users-requ...@gromacs.org.
> > >
> > --
> > *Regards,*
> > *Rahul Suresh*
> > *Research Scholar*
> > *Bharathiar University*
> > *Coimbatore*
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at http://www.gromacs.org/
> > Support/Mailing_Lists/GMX-Users_List before posting!
> >
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >
> > * For (un)subscribe requests visit
> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > send a mail to gmx-users-requ...@gromacs.org.
> >
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
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> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-requ...@gromacs.org.
>
-- 
*Regards,*
*Rahul Suresh*
*Research Scholar*
*Bharathiar University*
*Coimbatore*
-- 
Gromacs Users mailing list

* Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!

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mail to gmx-users-requ...@gromacs.org.

Re: [gmx-users] Gcc

[Anshul Lahariya]

yes rahul, i use pymol but dont know how to make movie


On Fri, Apr 21, 2017 at 10:09 AM, RAHUL SURESH 
wrote:

> You must use pymol
>
>
> On Fri, 21 Apr 2017 at 6:35 AM, Anshul Lahariya <
> anshullahariy...@gmail.com>
> wrote:
>
> > thanks rahul
> >
> >
> > and how to make md movie for 5ns by command.??
> >
> >
> > On Thu, Apr 20, 2017 at 5:54 PM, RAHUL SURESH 
> > wrote:
> >
> > > Yum apt-get gcc version
> > > Yum update
> > > Yum upgrade
> > > Yum install
> > >
> > >
> > > On Thu, 20 Apr 2017 at 5:23 PM, Mark Abraham  >
> > > wrote:
> > >
> > > > Hi,
> > > >
> > > > That's a good question for google or the forums of your operating
> > system,
> > > > not here. :-)
> > > >
> > > > Mark
> > > >
> > > > On Thu, 20 Apr 2017 12:42 Anshul Lahariya <
> anshullahariy...@gmail.com>
> > > > wrote:
> > > >
> > > > > hello,
> > > > >
> > > > > I want to change my gcc and want to install gcc version later than
> 5.
> > > > > what can i do so i can change the version of gcc to gcc-4.9.4
> > > > > --
> > > > > Gromacs Users mailing list
> > > > >
> > > > > * Please search the archive at
> > > > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > > > > posting!
> > > > >
> > > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> > > > >
> > > > > * For (un)subscribe requests visit
> > > > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users
> > or
> > > > > send a mail to gmx-users-requ...@gromacs.org.
> > > > >
> > > > --
> > > > Gromacs Users mailing list
> > > >
> > > > * Please search the archive at
> > > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > > > posting!
> > > >
> > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> > > >
> > > > * For (un)subscribe requests visit
> > > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users
> or
> > > > send a mail to gmx-users-requ...@gromacs.org.
> > > >
> > > --
> > > *Regards,*
> > > *Rahul Suresh*
> > > *Research Scholar*
> > > *Bharathiar University*
> > > *Coimbatore*
> > > --
> > > Gromacs Users mailing list
> > >
> > > * Please search the archive at http://www.gromacs.org/
> > > Support/Mailing_Lists/GMX-Users_List before posting!
> > >
> > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> > >
> > > * For (un)subscribe requests visit
> > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > > send a mail to gmx-users-requ...@gromacs.org.
> > >
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at
> > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > posting!
> >
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >
> > * For (un)subscribe requests visit
> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > send a mail to gmx-users-requ...@gromacs.org.
> >
> --
> *Regards,*
> *Rahul Suresh*
> *Research Scholar*
> *Bharathiar University*
> *Coimbatore*
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-requ...@gromacs.org.
>
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Re: [gmx-users] Gcc

[RAHUL SURESH]

You must use pymol


On Fri, 21 Apr 2017 at 6:35 AM, Anshul Lahariya 
wrote:

> thanks rahul
>
>
> and how to make md movie for 5ns by command.??
>
>
> On Thu, Apr 20, 2017 at 5:54 PM, RAHUL SURESH 
> wrote:
>
> > Yum apt-get gcc version
> > Yum update
> > Yum upgrade
> > Yum install
> >
> >
> > On Thu, 20 Apr 2017 at 5:23 PM, Mark Abraham 
> > wrote:
> >
> > > Hi,
> > >
> > > That's a good question for google or the forums of your operating
> system,
> > > not here. :-)
> > >
> > > Mark
> > >
> > > On Thu, 20 Apr 2017 12:42 Anshul Lahariya 
> > > wrote:
> > >
> > > > hello,
> > > >
> > > > I want to change my gcc and want to install gcc version later than 5.
> > > > what can i do so i can change the version of gcc to gcc-4.9.4
> > > > --
> > > > Gromacs Users mailing list
> > > >
> > > > * Please search the archive at
> > > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > > > posting!
> > > >
> > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> > > >
> > > > * For (un)subscribe requests visit
> > > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users
> or
> > > > send a mail to gmx-users-requ...@gromacs.org.
> > > >
> > > --
> > > Gromacs Users mailing list
> > >
> > > * Please search the archive at
> > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > > posting!
> > >
> > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> > >
> > > * For (un)subscribe requests visit
> > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > > send a mail to gmx-users-requ...@gromacs.org.
> > >
> > --
> > *Regards,*
> > *Rahul Suresh*
> > *Research Scholar*
> > *Bharathiar University*
> > *Coimbatore*
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at http://www.gromacs.org/
> > Support/Mailing_Lists/GMX-Users_List before posting!
> >
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >
> > * For (un)subscribe requests visit
> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > send a mail to gmx-users-requ...@gromacs.org.
> >
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-requ...@gromacs.org.
>
-- 
*Regards,*
*Rahul Suresh*
*Research Scholar*
*Bharathiar University*
*Coimbatore*
-- 
Gromacs Users mailing list

* Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!

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mail to gmx-users-requ...@gromacs.org.

Re: [gmx-users] Gcc

[Anshul Lahariya]

thanks rahul


and how to make md movie for 5ns by command.??


On Thu, Apr 20, 2017 at 5:54 PM, RAHUL SURESH 
wrote:

> Yum apt-get gcc version
> Yum update
> Yum upgrade
> Yum install
>
>
> On Thu, 20 Apr 2017 at 5:23 PM, Mark Abraham 
> wrote:
>
> > Hi,
> >
> > That's a good question for google or the forums of your operating system,
> > not here. :-)
> >
> > Mark
> >
> > On Thu, 20 Apr 2017 12:42 Anshul Lahariya 
> > wrote:
> >
> > > hello,
> > >
> > > I want to change my gcc and want to install gcc version later than 5.
> > > what can i do so i can change the version of gcc to gcc-4.9.4
> > > --
> > > Gromacs Users mailing list
> > >
> > > * Please search the archive at
> > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > > posting!
> > >
> > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> > >
> > > * For (un)subscribe requests visit
> > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > > send a mail to gmx-users-requ...@gromacs.org.
> > >
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at
> > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > posting!
> >
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >
> > * For (un)subscribe requests visit
> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > send a mail to gmx-users-requ...@gromacs.org.
> >
> --
> *Regards,*
> *Rahul Suresh*
> *Research Scholar*
> *Bharathiar University*
> *Coimbatore*
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-requ...@gromacs.org.
>
-- 
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http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!

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Re: [gmx-users] Gcc

[RAHUL SURESH]

Yum apt-get gcc version
Yum update
Yum upgrade
Yum install


On Thu, 20 Apr 2017 at 5:23 PM, Mark Abraham 
wrote:

> Hi,
>
> That's a good question for google or the forums of your operating system,
> not here. :-)
>
> Mark
>
> On Thu, 20 Apr 2017 12:42 Anshul Lahariya 
> wrote:
>
> > hello,
> >
> > I want to change my gcc and want to install gcc version later than 5.
> > what can i do so i can change the version of gcc to gcc-4.9.4
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at
> > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > posting!
> >
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >
> > * For (un)subscribe requests visit
> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > send a mail to gmx-users-requ...@gromacs.org.
> >
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-requ...@gromacs.org.
>
-- 
*Regards,*
*Rahul Suresh*
*Research Scholar*
*Bharathiar University*
*Coimbatore*
-- 
Gromacs Users mailing list

* Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!

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Re: [gmx-users] Gcc

[Mark Abraham]

Hi,

That's a good question for google or the forums of your operating system,
not here. :-)

Mark

On Thu, 20 Apr 2017 12:42 Anshul Lahariya 
wrote:

> hello,
>
> I want to change my gcc and want to install gcc version later than 5.
> what can i do so i can change the version of gcc to gcc-4.9.4
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-requ...@gromacs.org.
>
-- 
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mail to gmx-users-requ...@gromacs.org.

Re: [gmx-users] Gcc

[Vytautas Rakeviius]

Its quite problematic to alter existing Linux install in such way and better 
download proper gromacs version or such.Another possibility just select 
appropriate Linux distribution and version ex. my Slackware 14.2 comes with gcc 
5.3.0.
 

On Thursday, April 20, 2017 1:42 PM, Anshul Lahariya 
 wrote:
 

 hello,

I want to change my gcc and want to install gcc version later than 5.
what can i do so i can change the version of gcc to gcc-4.9.4
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[gmx-users] Gcc

[Anshul Lahariya]

hello,

I want to change my gcc and want to install gcc version later than 5.
what can i do so i can change the version of gcc to gcc-4.9.4
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