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.
Best,
Parker
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Received on Thu Jul 25 2013 - 06:30:02 PDT
