Re: AMBER: MD & running time

From: David A. Case <case.scripps.edu>
Date: Wed, 23 Jun 2004 14:02:45 -0700

On Wed, Jun 23, 2004, Kristina Furse wrote:
> I was under the impression that the information Ross Walker gave (below) about
> ntx=5 and ntx=7 in Amber 8 was also true for Amber 7--basically that they do
> the same thing and ntx=7 was there for backwards compatibility--but not for
> Amber 6, where they have different definitions. If this is not true, then I
> am in big trouble...

I think you are correct: these options are different in Amber 6. Starting
with Amber 7, the box information is always read from the restart file for
periodic systems, if it exists there.

....dac

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Received on Wed Jun 23 2004 - 22:53:01 PDT
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