[AMBER] Explicit vs Implicit solvent for REMD

From: Parker de Waal <Parker.deWaal09.kzoo.edu>
Date: Thu, 25 Jul 2013 09:03:14 -0400

Hi Amber Users,

I'm currently looking into using REMD to simulate the the effects of a
single aa substitution and was wondering if anyone had any experience with
implicit vs explicit solvent models. To my knowledge explicit provides a
higher level of accuracy at the expense of increased computational demand,
however I am unsure how the choice of explicit vs implicit would affect the
results of REMD.

If anyone has any advice I would be greatly appreciative.

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Received on Thu Jul 25 2013 - 06:30:02 PDT
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