[AMBER] Accelerated Molecular Dynamics in Amber12

From: Soumya Lipsa Rath <soumyalipsabt.gmail.com>
Date: Mon, 20 Aug 2012 10:45:11 +0530

Dear Amber Users,

I have run accelerated MD using Amber12 using default value of 0.2 for
calculating alphaD, alphaP, EthreshD and EthreshP as specified in the
I also tried few test runs by using values 0.5 and 1 instead of 0.2 to see
its effect of the MD. All of them result in different structures after
simulation. How do I know which one of them is the correct run?


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Received on Sun Aug 19 2012 - 22:30:02 PDT
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