[gmx-users] (no subject)
Tsjerk Wassenaar
tsjerkw at gmail.com
Mon May 5 10:05:29 CEST 2008
Hi Arnab,
If you know the time at which you want to start the analysis, you can
use the -b option (with whatever analysis tool). E.g. starting rmsf
calculation at 1 ns:
g_rmsf -s topol.tpr -f traj.xtc -o rmsf.xvg -b 1000
Cheers,
Tsjerk
On 5/5/08, Arnab Senapati <arnab at chemeng.iisc.ernet.in> wrote:
> Hi,
> Can anyone please tell me How to remove the equilibration time from
> calculating averages.
>
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--
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623
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