Hii,
In my work I want to determine the energy of few selective water
molecules of my system. For this purpose, can I follow energy
decomposition technique of MMPBSA.py? If possible, may I know how should I
proceed? Please help.
Thanking you.
Sanjib Paul
Department of Chemistry
IIT Kharagpur
Kharagpur, India
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Received on Thu Jun 09 2016 - 00:00:02 PDT
