Re: [AMBER] netcdf trajectory

From: David A Case <david.case.rutgers.edu>
Date: Fri, 23 Sep 2016 08:23:52 -0400

On Fri, Sep 23, 2016, Andrew Bostick wrote:
>
> How to get/find the end time of an md simulation in amber?

The mdinfo file is periodically written, and gives an estimate of how much
additional (human) time the current run will require. This might help,
depending on what you really mean by "end time" (i.e. wall clock time, or
number of picoseconds of simulation time?)

...dac


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Sep 23 2016 - 05:30:06 PDT
Custom Search