[gmx-users] Velocities in trjconv 4.5.5

[francesco oteri]

Hi Ignacio,
actually .cpt contains velocities and, to extract a .gro containing them,
you can try to use editconf.


Francesco

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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