[gmx-users] Dear Sir !
ckutzne at gwdg.de
Thu Dec 18 11:21:12 CET 2008
On Dec 18, 2008, at 10:25 AM, Venkat Reddy wrote:
> how to save the coordinates of atoms at regular intervals that were
> generated during "mdrun" ?? Is it automatic or we need to
> modify .mdp file ????
The 'nstxout' and 'nstxtcout' entries in the mdp file allow you to set
how often the coordinates
are written to .trr and .xtc file. Check the output control options in
the section '.mdp File' in the
Gromacs wiki for more information.
> Venkat Reddy Chirasani
> M.Tech Bioinformatics
> UNIVERSITY OF HYDERABAD
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