[gmx-users] how to obtain binding energy?

shahab shariati shahab.shariati at gmail.com
Tue May 17 14:12:37 CEST 2011

Dear mohsen

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.

best regards
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