AMBER Archive (2007)

Subject: Re: AMBER: Simulation died due to lack of disk space

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> Can you tell me, is
> there a way to stop the restart file overwriting? Perhaps it's possible
> to dump it out every, say, 1ns.

Not sure, haven't run any simulations for a while, and not sure
what the latest options are. You used to be able to rewrite it at
intervals, which is enough unless your sim blows up and you overwrite
w/ garbage (e.g. stars instead of numbers where format overflows).

Check the manual.

Bill
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• Next message: Ross Walker: "RE: AMBER: Simulation died due to lack of disk space"
• Previous message: Thomas Cheatham III: "Re: AMBER: Abnormality in MM-PBSA result"
• Maybe in reply to: Samantha Kaye: "AMBER: Simulation died due to lack of disk space"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]