[gmx-users] Velocities in trjconv 4.5.5

[Alex Marshall]

I'm pretty sure .cpt files don't store velocity information. Try using a
trr file instead.

On Mon, Apr 23, 2012 at 4:40 AM, Ignacio Fernández Galván
<jellby at yahoo.com>wrote:

> Hi all,
>
> I'm trying to get a .gro file with velocities. This command line works in
> 4.5.3:
>
> $ trjconv -f file.cpt -s file.tpr -o file.gro -pbc mol -center -boxcenter
> zero -ur compact -ndec 6
>
> But in 4.5.5 the output .gro file is written without the velocities, even
> though the -vel option is listed as "yes" in the terminal.
>
> Has this been changed on purpose? Is there a way to get the old behaviour?
>
> If you wonder why I want this, I want to continue a simulation where the
> coordinates of a frozen part of the system are slightly changed, so I need
> a file with coordinates and velocities, and then modify the coordinates.
>
> Thanks,
> Ignacio
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>



-- 
Alex Marshall
M.Sc. Candidate
Department of Applied Mathematics
The University of Western Ontario
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120423/6a3d2e86/attachment.html>