Re: [gmx-users] gibbs free energy calculation

2018-04-04 Thread Justin Lemkul



On 4/4/18 2:39 AM, Raag Saluja wrote:

Hi!

Thank you for your previous reply. You were right, my file was getting
modified. I had not saved the page directly but had copy-pasted it in a
textedit file.

I am again stuck, though. I was trying to run job_0.sh and when I gave the
command:
gmx grompp -f $MDP/EM/em_steep_$LAMBDA.mdp -c
$FREE_ENERGY/Tubulin/1TUB_processed.gro -p $FREE_ENERGY/Tubulin/topol.top
-o min$LAMBDA.tpr


I got the following error:

Source code file: /Applications/gromacs-5.0.6/src/gromacs/fileio/futil.cpp,
line: 545


File input/output error:

/home/justin/Free_Energy/MDP/EM/em_steep_0.mdp


Could you please help me?



Looks like you've copied directly from my tutorial without actually 
changing the path that points to the file on your actual system.


-Justin

--
==

Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalem...@vt.edu | (540) 231-3129
http://www.thelemkullab.com

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Re: [gmx-users] gibbs free energy calculation

2018-04-04 Thread Mark Abraham
Hi,

That just means that that file doesn't exist, so something about your
procedure is wrong. Find what files do exist, and where, and how that
doesn't match the script.

Mark

On Wed, Apr 4, 2018 at 8:40 AM Raag Saluja  wrote:

> Hi!
>
> Thank you for your previous reply. You were right, my file was getting
> modified. I had not saved the page directly but had copy-pasted it in a
> textedit file.
>
> I am again stuck, though. I was trying to run job_0.sh and when I gave the
> command:
> gmx grompp -f $MDP/EM/em_steep_$LAMBDA.mdp -c
> $FREE_ENERGY/Tubulin/1TUB_processed.gro -p $FREE_ENERGY/Tubulin/topol.top
> -o min$LAMBDA.tpr
>
>
> I got the following error:
>
> Source code file: /Applications/gromacs-5.0.6/src/gromacs/fileio/futil.cpp,
> line: 545
>
>
> File input/output error:
>
> /home/justin/Free_Energy/MDP/EM/em_steep_0.mdp
>
>
> Could you please help me?
>
>
> Regards,
>
> Raag
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[gmx-users] gibbs free energy calculation

2018-04-04 Thread Raag Saluja
Hi!

Thank you for your previous reply. You were right, my file was getting
modified. I had not saved the page directly but had copy-pasted it in a
textedit file.

I am again stuck, though. I was trying to run job_0.sh and when I gave the
command:
gmx grompp -f $MDP/EM/em_steep_$LAMBDA.mdp -c
$FREE_ENERGY/Tubulin/1TUB_processed.gro -p $FREE_ENERGY/Tubulin/topol.top
-o min$LAMBDA.tpr


I got the following error:

Source code file: /Applications/gromacs-5.0.6/src/gromacs/fileio/futil.cpp,
line: 545


File input/output error:

/home/justin/Free_Energy/MDP/EM/em_steep_0.mdp


Could you please help me?


Regards,

Raag
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Re: [gmx-users] gibbs' free energy tutorial: help with write_mdp.pl

2018-03-23 Thread Justin Lemkul



On 3/23/18 2:54 AM, Raag Saluja wrote:

Hi!

Thank you so much for your previous reply to my mail regarding Gibbs' free
energy!

However, I'm stuck again..
I tried the tutorial. On giving the command:

perl write_mdp.pl em_steep.mdp


I get these errors:

Raags-MacBook-Pro:native tubulin gibbs Preetiwadhwa$ perl write_mdp.pl
em_steep.mdp


All of the errors point to some kind of rich-text formatting, meaning 
you corrupted the script or altered it in a non-plain-text editor. 
Download a new copy of the script and don't alter it.


-Justin


Backslash found where operator expected at write_mdp.pl line 1, near "rtf1\"

Backslash found where operator expected at write_mdp.pl line 1, near "ansi\"

Backslash found where operator expected at write_mdp.pl line 1, near
"ansicpg1252\"

Backslash found where operator expected at write_mdp.pl line 1, near
"cocoartf1504\"

Backslash found where operator expected at write_mdp.pl line 2, near
"fonttbl\"

Backslash found where operator expected at write_mdp.pl line 2, near "f0\"

Backslash found where operator expected at write_mdp.pl line 2, near
"fmodern\"

Backslash found where operator expected at write_mdp.pl line 3, near
"red255\"

Backslash found where operator expected at write_mdp.pl line 3, near
"green255\"

Backslash found where operator expected at write_mdp.pl line 3, near "red0\"

Backslash found where operator expected at write_mdp.pl line 3, near
"green0\"

Bareword found where operator expected at write_mdp.pl line 4, near
"*\expandedcolortbl"

(Missing operator before expandedcolortbl?)

Backslash found where operator expected at write_mdp.pl line 4, near
"cssrgb\"

Backslash found where operator expected at write_mdp.pl line 4, near "c0\"

Backslash found where operator expected at write_mdp.pl line 4, near "c0\"

Backslash found where operator expected at write_mdp.pl line 5, near
"paperw11900\"

Backslash found where operator expected at write_mdp.pl line 5, near
"paperh16840\"

Backslash found where operator expected at write_mdp.pl line 5, near
"margl1440\"

Backslash found where operator expected at write_mdp.pl line 5, near
"margr1440\"

Backslash found where operator expected at write_mdp.pl line 5, near
"vieww10800\"

Backslash found where operator expected at write_mdp.pl line 5, near
"viewh8400\"

Backslash found where operator expected at write_mdp.pl line 6, near
"viewkind0

\"

(Missing semicolon on previous line?)

Backslash found where operator expected at write_mdp.pl line 7, near
"deftab720

\"

(Missing semicolon on previous line?)

Backslash found where operator expected at write_mdp.pl line 7, near "pard\"

Backslash found where operator expected at write_mdp.pl line 7, near
"pardeftab720\"

Backslash found where operator expected at write_mdp.pl line 7, near
"sl280\"

Backslash found where operator expected at write_mdp.pl line 9, near
"partightenfactor0


\"

(Missing semicolon on previous line?)

Backslash found where operator expected at write_mdp.pl line 9, near "f0\"

Backslash found where operator expected at write_mdp.pl line 9, near "fs24
\"

(Do you need to predeclare fs24?)

Backslash found where operator expected at write_mdp.pl line 9, near "cf2 \"

(Do you need to predeclare cf2?)

Backslash found where operator expected at write_mdp.pl line 9, near
"expnd0\"

Backslash found where operator expected at write_mdp.pl line 9, near
"expndtw0\"

Backslash found where operator expected at write_mdp.pl line 17, near ") \"

(Missing operator before \?)

Backslash found where operator expected at write_mdp.pl line 19, near "}\"

(Missing operator before \?)

syntax error at write_mdp.pl line 1, near "rtf1\"

syntax error at write_mdp.pl line 3, near "red255\"

syntax error at write_mdp.pl line 3, near "red0\"

syntax error at write_mdp.pl line 4, near "*\expandedcolortbl"

syntax error at write_mdp.pl line 4, near "cssrgb\"

syntax error at write_mdp.pl line 5, near "paperw11900\"

"use" not allowed in expression at write_mdp.pl line 12, at end of line

syntax error at write_mdp.pl line 17, near "unless"

syntax error at write_mdp.pl line 19, near "\}"

syntax error at write_mdp.pl line 31, near "for "

write_mdp.pl has too many errors.


Where am I going wrong? Looking forward to your kind help!

Regards,
Raag Saluja


--
==

Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalem...@vt.edu | (540) 231-3129
http://www.thelemkullab.com

==

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[gmx-users] gibbs' free energy tutorial: help with write_mdp.pl

2018-03-23 Thread Raag Saluja
Hi!

Thank you so much for your previous reply to my mail regarding Gibbs' free
energy!

However, I'm stuck again..
I tried the tutorial. On giving the command:

perl write_mdp.pl em_steep.mdp


I get these errors:

Raags-MacBook-Pro:native tubulin gibbs Preetiwadhwa$ perl write_mdp.pl
em_steep.mdp

Backslash found where operator expected at write_mdp.pl line 1, near "rtf1\"

Backslash found where operator expected at write_mdp.pl line 1, near "ansi\"

Backslash found where operator expected at write_mdp.pl line 1, near
"ansicpg1252\"

Backslash found where operator expected at write_mdp.pl line 1, near
"cocoartf1504\"

Backslash found where operator expected at write_mdp.pl line 2, near
"fonttbl\"

Backslash found where operator expected at write_mdp.pl line 2, near "f0\"

Backslash found where operator expected at write_mdp.pl line 2, near
"fmodern\"

Backslash found where operator expected at write_mdp.pl line 3, near
"red255\"

Backslash found where operator expected at write_mdp.pl line 3, near
"green255\"

Backslash found where operator expected at write_mdp.pl line 3, near "red0\"

Backslash found where operator expected at write_mdp.pl line 3, near
"green0\"

Bareword found where operator expected at write_mdp.pl line 4, near
"*\expandedcolortbl"

(Missing operator before expandedcolortbl?)

Backslash found where operator expected at write_mdp.pl line 4, near
"cssrgb\"

Backslash found where operator expected at write_mdp.pl line 4, near "c0\"

Backslash found where operator expected at write_mdp.pl line 4, near "c0\"

Backslash found where operator expected at write_mdp.pl line 5, near
"paperw11900\"

Backslash found where operator expected at write_mdp.pl line 5, near
"paperh16840\"

Backslash found where operator expected at write_mdp.pl line 5, near
"margl1440\"

Backslash found where operator expected at write_mdp.pl line 5, near
"margr1440\"

Backslash found where operator expected at write_mdp.pl line 5, near
"vieww10800\"

Backslash found where operator expected at write_mdp.pl line 5, near
"viewh8400\"

Backslash found where operator expected at write_mdp.pl line 6, near
"viewkind0

\"

(Missing semicolon on previous line?)

Backslash found where operator expected at write_mdp.pl line 7, near
"deftab720

\"

(Missing semicolon on previous line?)

Backslash found where operator expected at write_mdp.pl line 7, near "pard\"

Backslash found where operator expected at write_mdp.pl line 7, near
"pardeftab720\"

Backslash found where operator expected at write_mdp.pl line 7, near
"sl280\"

Backslash found where operator expected at write_mdp.pl line 9, near
"partightenfactor0


\"

(Missing semicolon on previous line?)

Backslash found where operator expected at write_mdp.pl line 9, near "f0\"

Backslash found where operator expected at write_mdp.pl line 9, near "fs24
\"

(Do you need to predeclare fs24?)

Backslash found where operator expected at write_mdp.pl line 9, near "cf2 \"

(Do you need to predeclare cf2?)

Backslash found where operator expected at write_mdp.pl line 9, near
"expnd0\"

Backslash found where operator expected at write_mdp.pl line 9, near
"expndtw0\"

Backslash found where operator expected at write_mdp.pl line 17, near ") \"

(Missing operator before \?)

Backslash found where operator expected at write_mdp.pl line 19, near "}\"

(Missing operator before \?)

syntax error at write_mdp.pl line 1, near "rtf1\"

syntax error at write_mdp.pl line 3, near "red255\"

syntax error at write_mdp.pl line 3, near "red0\"

syntax error at write_mdp.pl line 4, near "*\expandedcolortbl"

syntax error at write_mdp.pl line 4, near "cssrgb\"

syntax error at write_mdp.pl line 5, near "paperw11900\"

"use" not allowed in expression at write_mdp.pl line 12, at end of line

syntax error at write_mdp.pl line 17, near "unless"

syntax error at write_mdp.pl line 19, near "\}"

syntax error at write_mdp.pl line 31, near "for "

write_mdp.pl has too many errors.


Where am I going wrong? Looking forward to your kind help!

Regards,
Raag Saluja
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[gmx-users] Gibbs free energy

2018-03-06 Thread dina dusti
Dear Prof. Spoel
Thank you from your reply. Is good DoSPT code to obtain entropy for me?May I 
know your mean about pull out one lipid, Please?
Best RegardsDina
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Re: [gmx-users] Gibbs free energy

2018-03-06 Thread David van der Spoel

Den 2018-03-06 kl. 08:46, skrev dina dusti:

Dear Gromacs users
I have one question about obtaining of Gibbs free energy. I have one 
micellization system in NPT ensamble. Can I obtain the Gibbs free energy by 
G=H-TS? When H is obtained from g_energy and selection of enthalpy and S is 
obtained from g_covar+g_anaeig.May I ask you to guide me, Please?
Dina

You can not get absolute entropies from gmx covar and anaeig. In theory 
you could try to estimate the entropy in the micellar state and in the 
state with dissolved lipids, but since the latter is not an equilibrium 
state you will not get anything quantitative.


A better way to estimate the DH and DS components is to pull out one 
lipid from the equilibrium micelle at different temperatures and then 
compute DH from the Van't Hoff equation.

https://en.wikipedia.org/wiki/Van_%27t_Hoff_equation

--
David van der Spoel, Ph.D., Professor of Biology
Head of Department, Cell & Molecular Biology, Uppsala University.
Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.
http://www.icm.uu.se
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[gmx-users] Gibbs free energy

2018-03-05 Thread dina dusti
Dear Gromacs users
I have one question about obtaining of Gibbs free energy. I have one 
micellization system in NPT ensamble. Can I obtain the Gibbs free energy by 
G=H-TS? When H is obtained from g_energy and selection of enthalpy and S is 
obtained from g_covar+g_anaeig.May I ask you to guide me, Please?
Dina
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[gmx-users] Gibbs free energy

2018-03-05 Thread dina dusti
Dear Gromacs users
I have one question about obtaining of Gibbs free energy. I have one 
micellization system in NPT ensamble. Can I obtain the Gibbs free energy by 
G=H-TS? When H is obtained from g_energy and selection of enthalpy and S is 
obtained from g_covar+g_anaeig.May I ask you to guide me, Please?
Dina
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Re: [gmx-users] Gibbs' free energy in MD

2018-02-07 Thread Dallas Warren
You don't.  Free energy calculations are much more involved than that,
see http://www.alchemistry.org/wiki/Main_Page as a good resource for
details. Plus, of course, there are heaps of journal articles on it
and a good textbook will have details too.
Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.war...@monash.edu
-
When the only tool you own is a hammer, every problem begins to resemble a nail.


On 6 February 2018 at 19:49, Raag Saluja  wrote:
> Hi!
>
> How can I calculate Gibbs' free energy from the potential energy values
> obtained from the MD simulation?
>
> Regards,
> Raag
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[gmx-users] Gibbs' free energy in MD

2018-02-06 Thread Raag Saluja
Hi!

How can I calculate Gibbs' free energy from the potential energy values
obtained from the MD simulation?

Regards,
Raag
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Re: [gmx-users] Gibbs free energy landscape Vs. the stability of protein structure

2015-09-22 Thread David van der Spoel

On 22/09/15 07:42, Naba wrote:

Thank you Justin. I have to deduce some inference from this figure. Please
make me out about the following queries.

On Mon, Sep 21, 2015 at 5:48 PM, Justin Lemkul  wrote:




On 9/21/15 4:00 AM, Naba wrote:


Dear Gromacs users and Developers,

I have performed dihedral PCA for 4 extracellular loops of a transmembrane
protein after successfully finishing 100 ns of simulation at 300 and 310
K.
I obtained figures for each loops for two different temperatures as in
this
link: http://s28.postimg.org/dlva5i42l/d_PCA.jpg .

As we can see in that figure that, the loop L1 has got only one minimum at
both temperatures, whereas, L2 and L3 have got 4 minima at 300 K. I have
also calculated the amount of frames in percentages at their respective
minima. It seems that L2 and L3 have got more number of frames at their
minima when combined in comparison to L1. Now my question is:

Can we say that L2 and L3 are tend to be more stable at 300K than that of
L1 at the both temperatures?



I wouldn't make any argument about "stability" here.



Then what can be concluded from this figure? Please hint some possible
explanations.
Dihedral PCA is tricky business. For instance the "volume" of phase 
space sampled in each grid point varies making it difficult to compare 
the probability per volume (which is related to the free energy).


The fact that the difference between 300K and 310K is so large proves 
your sampling is far from complete as well, so basically your results 
are inconclusive (e.g. you sample areas at 300K that you don't at 310K).




Conformational sampling, maybe, but the question is whether or not these
PCs are the same between the different simulations. If you're not
projecting one trajectory onto the other's eigenvectors, you're quite
possibly comparing apples and oranges.



The PCs are same for both simulations. I followed dPCA procedure as you
have explained in http://www.gromacs.org/Documentation/How-tos/Dihedral_PCA
. To obtained the 2D projections as in the link of the figure I issued the
following command for each and every loops:

g_anaeig -v eigenvec_L*.trr -f dangle_L*.trr -s resized_loop*.gro
-first 1 -last 2 -2d 2dproj_1_2.xvg

I think, I am comparing the same projections for both the simulations.




-Justin

--
==

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalem...@outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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--
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:  +46184714205.
sp...@xray.bmc.uu.sehttp://folding.bmc.uu.se
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[gmx-users] Gibbs free energy landscape Vs. the stability of protein structure

2015-09-21 Thread Naba
Dear Gromacs users and Developers,

I have performed dihedral PCA for 4 extracellular loops of a transmembrane
protein after successfully finishing 100 ns of simulation at 300 and 310 K.
I obtained figures for each loops for two different temperatures as in this
link: http://s28.postimg.org/dlva5i42l/d_PCA.jpg .

As we can see in that figure that, the loop L1 has got only one minimum at
both temperatures, whereas, L2 and L3 have got 4 minima at 300 K. I have
also calculated the amount of frames in percentages at their respective
minima. It seems that L2 and L3 have got more number of frames at their
minima when combined in comparison to L1. Now my question is:

Can we say that L2 and L3 are tend to be more stable at 300K than that of
L1 at the both temperatures?
Please help.
Thanks in advance.

Regards

Nabajyoti Goswami

College of Veterinary Science
Khanapara, Guwahati 781022
Assam, India.
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Re: [gmx-users] Gibbs free energy landscape Vs. the stability of protein structure

2015-09-21 Thread Naba
Thank you Justin. I have to deduce some inference from this figure. Please
make me out about the following queries.

On Mon, Sep 21, 2015 at 5:48 PM, Justin Lemkul  wrote:

>
>
> On 9/21/15 4:00 AM, Naba wrote:
>
>> Dear Gromacs users and Developers,
>>
>> I have performed dihedral PCA for 4 extracellular loops of a transmembrane
>> protein after successfully finishing 100 ns of simulation at 300 and 310
>> K.
>> I obtained figures for each loops for two different temperatures as in
>> this
>> link: http://s28.postimg.org/dlva5i42l/d_PCA.jpg .
>>
>> As we can see in that figure that, the loop L1 has got only one minimum at
>> both temperatures, whereas, L2 and L3 have got 4 minima at 300 K. I have
>> also calculated the amount of frames in percentages at their respective
>> minima. It seems that L2 and L3 have got more number of frames at their
>> minima when combined in comparison to L1. Now my question is:
>>
>> Can we say that L2 and L3 are tend to be more stable at 300K than that of
>> L1 at the both temperatures?
>>
>
> I wouldn't make any argument about "stability" here.


Then what can be concluded from this figure? Please hint some possible
explanations.


> Conformational sampling, maybe, but the question is whether or not these
> PCs are the same between the different simulations. If you're not
> projecting one trajectory onto the other's eigenvectors, you're quite
> possibly comparing apples and oranges.
>

The PCs are same for both simulations. I followed dPCA procedure as you
have explained in http://www.gromacs.org/Documentation/How-tos/Dihedral_PCA
. To obtained the 2D projections as in the link of the figure I issued the
following command for each and every loops:

g_anaeig -v eigenvec_L*.trr -f dangle_L*.trr -s resized_loop*.gro
-first 1 -last 2 -2d 2dproj_1_2.xvg

I think, I am comparing the same projections for both the simulations.


>
> -Justin
>
> --
> ==
>
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 629
> University of Maryland, Baltimore
> 20 Penn St.
> Baltimore, MD 21201
>
> jalem...@outerbanks.umaryland.edu | (410) 706-7441
> http://mackerell.umaryland.edu/~jalemkul
>
> ==
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> Gromacs Users mailing list
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-- 
Nabajyoti Goswami

Research Associate
Bioinformatics Infrastructure Facility
Department of Animal Biotechnology
College of Veterinary Science
Khanapara,Guwahati 781022
Assam, India
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Re: [gmx-users] Gibbs free energy landscape Vs. the stability of protein structure

2015-09-21 Thread Justin Lemkul



On 9/21/15 4:00 AM, Naba wrote:

Dear Gromacs users and Developers,

I have performed dihedral PCA for 4 extracellular loops of a transmembrane
protein after successfully finishing 100 ns of simulation at 300 and 310 K.
I obtained figures for each loops for two different temperatures as in this
link: http://s28.postimg.org/dlva5i42l/d_PCA.jpg .

As we can see in that figure that, the loop L1 has got only one minimum at
both temperatures, whereas, L2 and L3 have got 4 minima at 300 K. I have
also calculated the amount of frames in percentages at their respective
minima. It seems that L2 and L3 have got more number of frames at their
minima when combined in comparison to L1. Now my question is:

Can we say that L2 and L3 are tend to be more stable at 300K than that of
L1 at the both temperatures?


I wouldn't make any argument about "stability" here.  Conformational sampling, 
maybe, but the question is whether or not these PCs are the same between the 
different simulations.  If you're not projecting one trajectory onto the other's 
eigenvectors, you're quite possibly comparing apples and oranges.


-Justin

--
==

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalem...@outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

==
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Re: [gmx-users] Gibbs free energy landscape Vs. the stability of protein structure

2015-09-21 Thread Padmani Sandhu
Sorry, I have posted my reply in wrong thread.

On Tuesday, September 22, 2015, Padmani Sandhu 
wrote:

> Hello justin,
>
> Thanks, actually I want to study movement of protons along the lenght of a
> water channel.
>
>
> Regards,
>
>
> Padmani
>
> On Monday, September 21, 2015, Justin Lemkul  > wrote:
>
>> [image: Boxbe]  This message is eligible
>> for Automatic Cleanup! (jalem...@vt.edu) Add cleanup rule
>> 
>> | More info
>> 
>>
>
>
> --
> *Padmani sandhu*
> *Research Scholar,*
> *Center for Computational Biology and Bioinformatics,*
> *Central University of Himachal Pradesh,*
> *Temporary Academic Block, Shahpur *
> *Pin 176206, District Kangra,*
> *Himachal Pradesh, India*
>
>

-- 
*Padmani sandhu*
*Research Scholar,*
*Center for Computational Biology and Bioinformatics,*
*Central University of Himachal Pradesh,*
*Temporary Academic Block, Shahpur *
*Pin 176206, District Kangra,*
*Himachal Pradesh, India*
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Re: [gmx-users] Gibbs free energy landscape Vs. the stability of protein structure

2015-09-21 Thread Padmani Sandhu
Hello justin,

Thanks, actually I want to study movement of protons along the lenght of a
water channel.


Regards,


Padmani

On Monday, September 21, 2015, Justin Lemkul  wrote:

> [image: Boxbe]  This message is eligible
> for Automatic Cleanup! (jalem...@vt.edu
> ) Add cleanup rule
> 
> | More info
> 
>


-- 
*Padmani sandhu*
*Research Scholar,*
*Center for Computational Biology and Bioinformatics,*
*Central University of Himachal Pradesh,*
*Temporary Academic Block, Shahpur *
*Pin 176206, District Kangra,*
*Himachal Pradesh, India*
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