[gmx-users] Velocities in trjconv 4.5.5
Ignacio Fernández Galván
jellby at yahoo.com
Mon Apr 23 16:45:22 CEST 2012
--- On Mon, 23/4/12, Alex Marshall <amarsh59 at uwo.ca> wrote:
> I'm pretty sure .cpt files don't store velocity information. Try using a
> trr file instead.
Well, I'm pretty sure .cpt files do store velocities:
1. What good would be checkpoint files without velocities?
2. It works with version 4.5.3
3. "gmxcheck -f file.cpt" says, for both 4.5.3 and 4.5.5:
Step 1
Time 1
Lambda 1
Coords 1
Velocities 1
Forces 0
Box 1
More information about the gromacs.org_gmx-users
mailing list