[gmx-users] Specify run time

[Natalie Stephenson]

Hi All,

I was just wondering if anyone knew whether it was possible to tell Gromacs to run for a few hours, dump all the intermediate results and then exit.  I was hoping to be able to use the checkpoint function to run the simulation for a bit, checkpoint it, exit then restart.  Is this possible?

Thanks
Natalie


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Natalie Stephenson, B.Sc
PhD Research Associate

Manchester Interdisciplinary Biocentre
131 Princess Street
Manchester
M1 7DN
x65816
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