Re: AMBER: Problem with Sander restart file.

From: David A. Case <>
Date: Wed, 11 Apr 2007 11:11:40 -0700

On Wed, Apr 11, 2007, Martin Stennett wrote:

> The problem with the other three is that once It's equilibrated at 590
> and written it's restart file it says it can't read the restart file
> whenever I try to re-use it.

Check manually to see if you have any "*" characters in your restart file.
It seems likely that the space reserved for coordinates might have overflowed
at the high temperatures. If so, you probably need to set iwrap=1.

...hope this helps...dac

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Received on Sun Apr 15 2007 - 06:07:09 PDT
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