[gmx-users] how many contacts has a certain atom at MD
olga.ivchenko at gmail.com
Mon Feb 21 11:32:05 CET 2011
Dear Gromacs Users,
I would like to know if there is in gromacs an option how to calculate how
many contacts has a certain atom i(n a molecules of interest) with water
during the whole MD simulations (or at each step of MD).
Please could you advice me on this?
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