Hi Neha,
> I was wondering if anybody has tried using scee=2.0 with mm-pbsa? What
> if I use scee=2.0 with latest versions of amber forcefield for
> negatively charged ligands?
If you do this your answers will be WRONG... Plain and simple. The force
fields (FF94, FF99, FF99SB, FF03, gaff) were parameterized with SCEE=1.2 and
SCNB=2.0. You change these values at your peril!
Ross...
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|\oss Walker
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Received on Wed May 20 2009 - 16:38:37 PDT
