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
manual.
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?
Thanks,
Soumya
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Received on Sun Aug 19 2012 - 22:30:02 PDT
