Re: [AMBER-Developers] Energy conservation problems with pmemd.CUDA

From: George Giambasu <giambasu.gmail.com>
Date: Mon, 10 Apr 2017 19:12:50 -0400

Good to know - I haven't realized that you were aiming for very strict
energy conservation. I guess I should have mentioned that my input lead
to 1K/100ns increase in temperature - which was fine for estimation of
diffusive properties of an RNA in salt and water.

best,

George

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Received on Mon Apr 10 2017 - 16:30:02 PDT
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