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 <jel...@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@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-requ...@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
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