[gmx-users] pmetune and restarting

Johnny Lu johnny.lu128 at gmail.com
Fri Dec 12 17:23:40 CET 2014


I notice that after I stop a simulation by specifying the number of hours
that it runs with -maxh,
and then restarting the simulation, at the beginning of each restart, the
pme is tuned again.

Will that cause any error if I periodically restart the simulation? How big
is the error?

Is it possible to save and reuse pme tune result by a mdrun option?

Thank you.

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