Re: [AMBER-Developers] About the reproducibility of MD simulations

From: Adrian Roitberg <>
Date: Mon, 5 Jun 2017 23:24:43 +0900


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.


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
> _______________________________________________
> AMBER-Developers mailing list

Dr. Adrian E. Roitberg
University of Florida Research Foundation Professor
Department of Chemistry
University of Florida
AMBER-Developers mailing list
Received on Mon Jun 05 2017 - 07:30:04 PDT
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