Hi,
Yes, cpptraj should be able to read velocity and force information
from Gromacs TRR files. I've only been able to do limited testing with
Gromacs trajectories though, so please let me know if you encounter
any problems.
-Dan
On Thu, Jan 25, 2018 at 5:19 AM, Mohd Farid Ismail
<mohd.farid.ismail.yandex.com> wrote:
>
> Hi,
>
> Â
>
> cpptraj can easily extract the coordinates from gromacs .trr file, but the
> .trr file also contains the velocity and force information. Can cpptraj
> extract these information?
>
> --Â
>
> Mohd Farid Ismail
>
> Â
>
> Â
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--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Thu Feb 01 2018 - 06:30:02 PST
