[gmx-users] Dear Sir !

Carsten Kutzner 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
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