[gmx-users] RMSD as a function of residue number

David van der Spoel spoel at xray.bmc.uu.se
Thu Nov 6 11:38:00 CET 2003

On Thu, 2003-11-06 at 11:37, Ghermes Chilov wrote:
> Dear gmx-users,
> I'm aufully sorry to disturb you with such a trivial question, but i
> really could not find out (from either Manual or List) how could i
> plot RMSD as a function of residue number. Actually I need to compare
> two structures: I've got an index file where all residues are listed,
> but when g_rms asks me to select groups one by one, I get a
> little bit confused. I guess there should be a simple solution.
you may want to compute fluctuations with g_rmsf

> thanks in advance,
> Ghermes Chilov
> Moscow State University
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David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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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