Hi,
I am using amber10 to run MD. I built both old prmtop (using amber 6)and prmtop 7 for my system. For energy minimization, both old prmtop and prmtop give you very similar result. However, if I run MD for 100,000 steps (using the same random number seed), the distribution of potential energy shifts several kcal/mol. Is there any reason for this? Thanks very much.
Sincerely,
Qian
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Received on Thu Jul 14 2011 - 12:30:02 PDT
