[gmx-users] Velocities in trjconv 4.5.5
francesco.oteri at gmail.com
Mon Apr 23 17:02:18 CEST 2012
actually .cpt contains velocities and, to extract a .gro containing them,
you can try to use editconf.
Il giorno 23 aprile 2012 16:45, Ignacio Fernández Galván
<jellby at yahoo.com>ha scritto:
> --- 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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Cordiali saluti, Dr.Oteri Francesco
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