[gmx-users] how to obtain binding energy?
shahab.shariati at gmail.com
Tue May 17 14:12:37 CEST 2011
thanks for your reply.
I forgot to say there are water and ion in my system.
with new conditions, can I use PMF or TI?
I have another question:
is there this possibility to obtain affinity between protein and ligand by
gromacs? please guide me about that.
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