Hi List,
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?
With negative charged ligands, my experience says we get very negative
energies using mm-pbsa method, because the electrostatic term
dominates and the solvation term is smaller compared to the gas phase.
What parameter would be helpful in such a case?
I appreciate your advice.
--
Regards,
Neha Gandhi,
School of Biomedical Sciences,
Curtin University of Technology,
GPO Box U1987 Perth,
Western Australia 6845
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Received on Wed May 20 2009 - 16:36:11 PDT
