Hi Adrian, Pratul and Dave,
Thank you for your comments. They clarified the issue.
Best regards,
Pengfei
> On Jun 5, 2017, at 9:54 AM, David A Case <david.case.rutgers.edu> wrote:
>
> On Mon, Jun 05, 2017, Pengfei Li wrote:
>
>> 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!
>
>> It was pemed.MPI. Both used 16 cpus.
>
> There is a (brief) discussion of this as well on p. 24 of the 2017 Amber
> Reference Manual.
>
> ...dac
>
>
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Received on Mon Jun 05 2017 - 10:00:03 PDT
