[gmx-users] g_cluster: fit & rmsd groups
David van der Spoel
spoel at xray.bmc.uu.se
Fri Jul 2 13:59:15 CEST 2004
On Fri, 2004-07-02 at 13:00, Nuno R. L. Ferreira wrote:
> Hi all
> Just to be sure about it ...
> It seems that g_cluster uses the same atom group for fitting and performing
> the rmsd calculations.
> What about if I want to fit the structures to a different group than the one
> used to calculate the rmsd's? I see a -dm flag in the command options, able
> to read a xpm file.
how about trjconv -fit
> This xpm file , could be produced by g_rmsdist?
> Best regards,
David van der Spoel, PhD, Assoc. 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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