One option is to avoid checkpoint files all together. I personally use
a grompp/mdrun cycle of ~2h segments that was historically done in
order to utilize the -sort -shuffle options to gromacs 3. I found it
simpler to keep on doing the exact same thing in gromacs 4, even
though I no longer
Dallas B. Warren wrote:
When using checkpoint files to continue a run, mdrun overrides the output file names
specified by putting ".part" before the file extension.
I don't want it to do that, since I have already told it how I want the output
files to be named.
Is it possible to stop t
When using checkpoint files to continue a run, mdrun overrides the output file
names specified by putting ".part" before the file extension.
I don't want it to do that, since I have already told it how I want the output
files to be named.
Is it possible to stop that happening?
Catch ya,
D
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