[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



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