[AMBER] HMR

From: Parker de Waal <Parker.deWaal.vai.org>
Date: Tue, 9 Jun 2015 18:09:43 +0000

Hi Everyone,

With regards to hydrogen mass partitioning, can this be applied after the system has been equilibrated (i.e. only perform production simulations with HMR) or should the entire simulation pipeline (minimization -> heating -> pressure -> prod) be run with HMR?

Best,
Parker
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Received on Tue Jun 09 2015 - 12:00:02 PDT
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