From: Stern, Julie (jvstern_at_bnl.gov)
Date: Fri Mar 02 2007 - 10:43:23 CST
Have there been any studies or comparisons done regarding reproducibility of
an MD result in amber vs. namd? If all the parameter options are set the same and
the initial conditions are the same, are the algorithms in amber and namd implemented
the same so that an exact trajectory would come out the same? Where do you suppose
the differences would be?
Any comments or pointers would be helpful.
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