Re: [AMBER] Restart the crashed MD run in Amber18

From: David A Case <david.case.rutgers.edu>
Date: Tue, 15 Jun 2021 09:05:14 -0400

On Tue, Jun 15, 2021, Amir Zeb wrote:
>
>I need help to know how can I restart the md run from a
>pre-mature terminated run?

Depending on your input parameters, it is likely that there will be an
intermediate restart file written. You can use that to re-start. Of
course, you may see the same problem again -- depends on what caused the
early termination of the program.

....dac


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jun 15 2021 - 06:30:03 PDT
Custom Search