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 ????
Hi,
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.
Carsten
Venkat Reddy Chirasani
M.Tech Bioinformatics
UNIVERSITY OF HYDERABAD
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