Hi
Not sure what you mean.
Same random seed and same coordinates/prmtop, etc ?
What do you mean by different results ?
Was this amber gpu or what ?
Tell us the details please.
adrian
On 6/5/17 11:22 PM, pengfei li wrote:
> Hi everyone,
>
> I have performed two simulations with the same random seed but got different results. Except the random seed, what are the other factors that influence the reproducibility of the MD simulation? Thanks!
>
> Best regards,
> Pengfei
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--
Dr. Adrian E. Roitberg
University of Florida Research Foundation Professor
Department of Chemistry
University of Florida
roitberg.ufl.edu
352-392-6972
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Received on Mon Jun 05 2017 - 07:30:04 PDT
