[gmx-users] Specify run time

[Mark Abraham]

On 20/05/11, Natalie Stephenson  <Natalie.Stephenson at postgrad.manchester.ac.uk> wrote:
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> Hi All,
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> 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
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GROMACS writes results progressively, so either choose a number of steps that will be suitable, or use mdrun -maxh. Then use the checkpoint to restart, per the restart instructions on the webpage

Mark
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