[AMBER] remd

From: whb <wwwhbpt.gmail.com>
Date: Thu, 19 Jun 2014 08:35:19 +0800

Hi all:

         When I was reading the turotial of
remd(http://ambermd.org/tutorials/advanced/tutorial7/), I found a question
that the author set up irest=0, ntx=1 rather than irest=1,ntx=5 in the
remd.mdin. I want to know why we give up the speed produced by the
equilibrium step and produce a new speed by ntx=1.

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Received on Wed Jun 18 2014 - 18:00:02 PDT
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