On Mon, Jun 06, 2016, Thomas Pochapsky wrote:
> If a sander run is stopped by an external event, do I restart the job
> with -A so as to continue to add to the original .out and .mdcrd files?
No. The manual says that -A is "mainly" used for replica exchange, but
I think it should be saying "only" used for replica exchange. (I'm
counting on someone on ths list correcting me if I am wrong.)
For your situation, you have to manually find the last good restart file,
and use that (with the -c flag) to begin again, creating new mdout, trj
and restart files.
....dac
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Received on Mon Jun 06 2016 - 10:30:02 PDT
