[gmx-users] average structure

David van der Spoel spoel at xray.bmc.uu.se
Mon Feb 10 16:08:13 CET 2003


On Mon, 2003-02-10 at 12:18, molteni at unisi.it wrote:
> Dear gmx-users,
> this time my question is a "trivial" one. How do I calculate the average
> structure of a MD trajectory (from the .xtc file)? That is, which of the
> analysis programs should I use, and which option? Maybe it's written
> somewhere in the online reference ... but I couldn't find it.
> 
g_rmsf -oq
> Thanks a lot in advance
> 
> Elena
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell & Mol. Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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