[AMBER] Is there a way to disable electrostatic solute-solvent interactions in PMEMD?

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From: Plotnikov, Nikolay <Nikolay.Plotnikov.pfizer.com>
Date: Thu, 4 Aug 2016 15:27:25 +0000

Hello,
Is there a way to run an MD trajectory with no contributions to forces from solute-solvent electrostatic interactions? At the same time I want to keep electrostatic interactions (forces) between solute atoms and between solvent (thus I cannot simply kill charges neither on solute nor on solvent atoms).
Nikolay Plotnikov
Postdoctoral Fellow, Pfizer

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Received on Thu Aug 04 2016 - 08:30:04 PDT