Dear Amber users
Submitting the same job of pmemd on different nodes gives different
results. Anyone can explain the reason behind this? For your information,
ig value is the same in all output files, and the difference is not
negligible. In case of sander, the same job gives the same results on all
nodes.
One more point, we know that the sander, pmemd and cuda codes are
different. But in case if we want to get the same results by the three
codes, what we should do?
Thanks in advance
Sincerely;
M. Ibrahim
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Received on Mon Dec 21 2015 - 02:30:03 PST
