[AMBER] Can Amber constant pH run with CHARMM force field?

From: Chen Yifan <ychen257.outlook.com>
Date: Fri, 5 Apr 2019 18:51:35 +0000

Hello Amber people,

I’m running some simulation with the Amber constant pH method in explicit solvent (which is actually hybrid). But since my system behaved weird in Amber force field ff14SB, I am thinking of using the CHARMM force field for the explicit part of the Amber constant pH method. Does anyone have experience with this? Is it possible? What should I do?

Any advice is appreciated! Thank you in advance!


Ada Yifan Chen
Graduate student
Bloomberg 315
Department of Physics and Astronomy
Johns Hopkins University
3701 San Martin Drive
Baltimore MD 21218

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Received on Fri Apr 05 2019 - 12:00:02 PDT
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