[gmx-users] exact average distances with g_mdmat
ichauvot at lbpa.ens-cachan.fr
Sun Dec 23 16:03:38 CET 2012
I would like to select, for each residue of a model, the residues that are
within 3.6 A in average over a simulation.
g_mdmat must create this information at some point while generating the
contact diagrams, but I would like to extract the real values before they
are discretized. I haven't found out how to do this. If sb has any idea or
suggestion, it might be very useful.
Thanks in advance,
- Isaure Chauvot de Beauchene
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