Re: AMBER: Constant pressure - restart - Amber8

From: David A. Case <>
Date: Fri, 24 Feb 2006 09:34:46 -0800

On Fri, Feb 24, 2006, Jennie Thomas wrote:

> I did a restart from a constant pressure run, for some reason the volume
> of my box was not read in from restart file.

Please post the top part of your output file (up to where the first energies
are reported.) Generally, what you report is not supposed to happen. There
should be lines like "getting new box info from bottom of inpcrd", and
"Box info found". But if we have your output file, we can see all of the
input and output parameters. It would also be helpful to post the last line
of the restart file you were using.


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Received on Sun Feb 26 2006 - 06:10:19 PST
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