From: hansang bae (baeh_at_ecn.purdue.edu)
Date: Tue Dec 02 2003 - 13:03:16 CST
Before asking this question, I have to say that I'm not a chemist or a
biologist. I have been running several example simulations available at namd
homepage just because of my interest in parallel processing framework of
namd2 (charm++).
What I don't quite understand is why some of the simulations are not
reproducible even for several sequential runs. (for example, bpti). Is namd2
introducing some randomness in it's own code? Is it possible to set on or
off such randomness in input parameters.
Thanks,
Hansang.
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