Hello everyone,
I am calculating binding free energy by mm-gbsa with dc=1. And can I get the decomposed free energies (such as ELE VDW) for every snapshots by make same change of mm_pbsa_statistics.pm and how to do so ?
Thanks every much for your kind help
Xueqin
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Pang Xueqin
State Key Laboratory of Molecular Reaction Dynamics
Dalian Institute of Chemical Physics
Chinese Academy of Sciences.
Tel: 0411-84379352 Fax: 0411-84675584
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Received on Thu May 06 2010 - 07:00:07 PDT
