[AMBER] mmpbsa on charged sytem

From: Mary Varughese <maryvj1985.gmail.com>
Date: Tue, 5 Aug 2014 12:49:26 +0530

I have a nucleic acid ligand system with negatively charged ligand.
(mimor groove binding) cooH group protrude out of the groove. i would
like to do an mmpbsa calculation retaining certain amount of water
shell around the complex. Is it possible to do so? is there any
reference papers available in this regard?

thankimg you

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Received on Tue Aug 05 2014 - 00:30:02 PDT
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