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

francesco oteri francesco.oteri at gmail.com
Mon Jan 28 09:49:59 CET 2013

you can try using g_cluster, taking care to use the option -cl


2013/1/28 Houcemeddine Othman <houcemoo at gmail.com>

> 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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Cordiali saluti, Dr.Oteri Francesco

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