[gmx-users] get the center of a cluster using gromacs

Houcemeddine Othman houcemoo at gmail.com
Mon Jan 28 09:40:56 CET 2013


Hi,
How can I get the center of a cluster from a multiple conformers pdb
file (a file containing a cluster of a docking poses). I tried to use
g_covar to get an average structure but I get a distorted structure
when averaging over the whole atoms of the protein.



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