Re: [gmx-users] WARNING no output error while dumping structures with trjconv from MD.trr

2016-05-21 Thread Tsjerk Wassenaar 
Oh, you don't want to dump one frame! You want the frames beyond 25 ns. So
don't use -dump at all. You'll only get one frame though, using a spacing
of 1 ns.

Cheers,

Tsjerk
On May 21, 2016 13:53, "Tsjerk Wassenaar"  wrote:

> Hi Antara,
>
> You indicate you want the frame at 27ns (-dump 27000), but that's not in
> the trajectory. The suggestion is to ask for a frame that is in, like -dump
> 25290
>
> Cheers,
>
> Tsjerk
> On May 21, 2016 13:09, "Antara mazumdar"  wrote:
>
> Dear gromacs users,
>
>I was trying to dump structures from MD.trr using trjconv. The MD.trr
> has 0ns to 382ns of data. (i checked the MD.log file also).  However, when
> i try to dump structures beyond 25ns, with the following command :
> *gmx trjconv mpi -f MD.trr -dump 27000.000 -dt 1000 -s MD.tpr -b 2.000*
>
>
> *it gives the following error :WARNING no output, last frame read at
> t=25290*
>
> I have also tried to check with gmxcheck but it only runs till 20ns.
>
> trjconv and or gmxcheck did not give any error with MD.xtc which was
> generated during the simulation.
>
> I require the MD.trr as i  need velocity and force information for my
> analysis.
>
> Kindly suggest something!!
> Kind Regards,
> Antara
>
> --
> Junior research fellow(project)
> Systems biology group
> CSIR-Institute of Genomics & Integrative Biology
> South Campus
> New Delhi -  110020
> M : +91-9717970040
> --
> --
> 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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Re: [gmx-users] WARNING no output error while dumping structures with trjconv from MD.trr

2016-05-21 Thread Tsjerk Wassenaar 
Hi Antara,

You indicate you want the frame at 27ns (-dump 27000), but that's not in
the trajectory. The suggestion is to ask for a frame that is in, like -dump
25290

Cheers,

Tsjerk
On May 21, 2016 13:09, "Antara mazumdar"  wrote:

Dear gromacs users,

   I was trying to dump structures from MD.trr using trjconv. The MD.trr
has 0ns to 382ns of data. (i checked the MD.log file also).  However, when
i try to dump structures beyond 25ns, with the following command :
*gmx trjconv mpi -f MD.trr -dump 27000.000 -dt 1000 -s MD.tpr -b 2.000*


*it gives the following error :WARNING no output, last frame read at
t=25290*

I have also tried to check with gmxcheck but it only runs till 20ns.

trjconv and or gmxcheck did not give any error with MD.xtc which was
generated during the simulation.

I require the MD.trr as i  need velocity and force information for my
analysis.

Kindly suggest something!!
Kind Regards,
Antara

--
Junior research fellow(project)
Systems biology group
CSIR-Institute of Genomics & Integrative Biology
South Campus
New Delhi -  110020
M : +91-9717970040
--
--
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[gmx-users] WARNING no output error while dumping structures with trjconv from MD.trr

2016-05-21 Thread Antara mazumdar 
Dear gromacs users,

   I was trying to dump structures from MD.trr using trjconv. The MD.trr
has 0ns to 382ns of data. (i checked the MD.log file also).  However, when
i try to dump structures beyond 25ns, with the following command :
*gmx trjconv mpi -f MD.trr -dump 27000.000 -dt 1000 -s MD.tpr -b 2.000*


*it gives the following error :WARNING no output, last frame read at
t=25290*

I have also tried to check with gmxcheck but it only runs till 20ns.

trjconv and or gmxcheck did not give any error with MD.xtc which was
generated during the simulation.

I require the MD.trr as i  need velocity and force information for my
analysis.

Kindly suggest something!!
Kind Regards,
Antara

--
Junior research fellow(project)
Systems biology group
CSIR-Institute of Genomics & Integrative Biology
South Campus
New Delhi -  110020
M : +91-9717970040
--
-- 
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
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