Re: [AMBER] About the reproducibility of pmemd

From: David A Case <case.biomaps.rutgers.edu>
Date: Mon, 19 May 2014 08:50:13 -0400

On Mon, May 19, 2014, Val Yu wrote:

> I'm using Amber 9. I found that pmemd cannot reproduce orbit from the same
> initial conditions, while sander can. Have anyone found the same problem
> before?

Please review the material on p. 22 of the Amber14 Reference Manual. (This
is available from the Amber web site; there is a similar section in the Amber
9 manual.)

....dac


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Received on Mon May 19 2014 - 06:00:05 PDT
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