----- Original Message ----- From: Carla Jamous <carlajam...@gmail.com> Date: Thursday, June 17, 2010 0:36 Subject: [gmx-users] covariance analysis? To: Discussion list for GROMACS users <gmx-users@gromacs.org>
> Hi everyone, > > please I have a kind of theoretical question. I want to figure out if there's > an allosteric relation between my ligand an a secondary structure (a loop or > a helix) in my protein: if there motions are correlated. Is it possible to do > that with a covariance analysis? g_covar permits the fit and analysis groups to be different, which sounds like it's exactly what you want. See its documentation. Mark
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