Anna Marabotti wrote:
Dear Justin,
thanks a lot for your suggestions. I checked the first 50ns simulation
log files and in fact they start at zero and they don't say Gromacs
is using checkpoints. Therefore, I'll follow your suggestions and
discard the first 5ns simulations.
Just to be sure
Dear Justin,
thanks a lot for your suggestions. I checked the first 50ns simulation log
files and in fact they start at zero and they don't say Gromacs is using
checkpoints. Therefore, I'll follow your suggestions and discard the first
5ns simulations.
Just to be sure about it: to use checkpoints
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