On Thu, Mar 23, 2017, Garima Singh wrote:
> I am using amber 14 for simulation.Why molecular dynamics simulation was
> stopped without giving any error?
>
> Estimated time remaining: 167.1 hours.
This is a *very* long time for a single run. Are you sure there was no
hardware problem, or queue time limit, or anything else happening. For most
people a general practice is to split long MD runs into smaller segments (say
24 hours or so), then chain them together using a shell script. That way
you generally never lose more than 1 day of work when problems arise.
....dac
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Received on Thu Mar 23 2017 - 07:00:03 PDT
