Dear Dr. Miyasaki,
The restart file contains the updated coordinates, so you would
enter this file after the -c specification in the command line
(this is the file from which starting coordinates are derived).
You also would need to reset a few other variables such as irest=1,
ntx=5 or 7 (in most cases), and for sander_classic, init=4.
Sincerely,
Michael G. Cooney
Department of Biochemistry and Molecular Biology
The University of Georgia
Athens, GA 30602
On Wed, 22 Nov 2000 miyasaki_at_haystack.lclark.edu wrote:
> Dear AMBER users,
> I was just wondering how one would restart a production run if one should stop
> due to a power outage, etc.
>
> Thanks,
> Christine Miyasaki
>
Received on Fri Dec 01 2000 - 09:21:07 PST
