[gmx-users] velocity was not present from trjconv

Albert mailmd2011 at gmail.com
Tue Feb 12 15:25:17 CET 2013

On 02/12/2013 03:19 PM, Justin Lemkul wrote:
> Velocities are not stored in .xtc files.  They are stored in .trr 
> files, if nstvout != 0 in the .mdp file.
> -Justin 

Hi Justin:

  thanks for kind comments.  I used the following settings and I didn't 
generate .trr file:

nstxout        = 0        ; Write coordinates to output .trr file every 2 ps
nstvout        = 0        ; Write velocities to output .trr file every 2 ps
nstfout        = 0
nstxtcout = 20000
nstenergy    = 10000        ; Write energies to output .edr file every 2 ps
nstlog        = 10000        ; Write output to .log file every 2 ps

probably that's the reason why it didn't have velocity informations.... 
My md is still running, I am just wondering, is there any way to extract 
the last snapshot into .gro file with velocity information?



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