Re: [AMBER] Converting Gromacs topology files to Amber format

From: Vishal Nemaysh <vishal.bioinfotech.gmail.com>
Date: Tue, 9 Jun 2015 11:00:42 +0530

Dear Jason,

but when i generate the RMSD.xvg graph from 6.1GB .trr file which i
mentioned in my last mail, it will not show the full time period of
10,000ps it will show only 1000ps time on X-axis. i can't understand why it
is happen. please suggest me how i resolve this prob.

Thanks....



On Sun, Jun 7, 2015 at 9:55 PM, Jason Swails <jason.swails.gmail.com> wrote:

> On Sat, Jun 6, 2015 at 1:48 PM, MOHD HOMAIDUR RAHMAN <rahmanhpu.gmail.com>
> wrote:
>
> > Dear Jason
> >
> > I have prep and frc file generated from antechamber.
> > How to convert amber topology file to gromacs topology file from this
> file.
> >
>
> ‚ÄčI believe there is a program acpype that can do this. To do this with
> ParmEd, you need to download the latest version and write your own Python
> script to do this.
>
> There is documentation (https://parmed.github.io/ParmEd) and examples in
> the ParmEd test suite (test_format_conversions.py) that demonstrate how
> this is done.
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
Vishal
Research Scholar,
Neuropharmaceutical Chemistry lab.,
Dr. B. R. Ambedkar Center for Biomedical Research,
University of Delhi, Delhi-110007
Email: *vishal.bioinfotech.gmail.com <vishal.bioinfotech.gmail.com>*
Phone: 91-11-27662778 Mobile: 91+9650736653
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Received on Mon Jun 08 2015 - 23:00:02 PDT
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