this is much easier in amber11 than in amber10. which amber version
are you using?
2010/5/6 pxq <pangxueqintea.yahoo.com.cn>:
> 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
>
>
> =======================================================================================
> 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 - 07:30:08 PDT
