[gmx-users] shorten the .job output

herbst at fhi-berlin.mpg.de herbst at fhi-berlin.mpg.de
Thu Jan 12 16:51:13 CET 2006

The output control says nothing about the .job file. It gives the remaining
runtime for every timestep of the simulation and is produced by mdrun.

> herbst at fhi-berlin.mpg.de wrote:
>> Hi all,
>> I am doing MD simulations with a length of 500 ns and I am getting a
>> .job
>> file with a size of ca. 1 GB for every simulation. I would like to
>> change
>> the output, so that the .job file is updated only every tenth timestep
>> and
>> it does not take up so much memory anymore.
>> How can I do this ?
> I'm not sure what a .job file is. However, if you read the gromacs
> manual, the cunningly-titled section "7.3.7 Output control" will point
> you in the right direction for changing the frequency of a variety of
> outputs.
> Mark
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