AMBER Archive (2004)

Subject: Re: AMBER: MD & running time

From: David A. Case (case_at_scripps.edu)
Date: Wed Jun 23 2004 - 16:02:45 CDT

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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