Am Dienstag, 27. Februar 2007 schrieb David van der Spoel:
> but it says at the bottom of the md.log file how many ns/day you will get.
ah ok, I know what you mean: Setting up a short run ~200 steps or so and then
parsing md.log file. That's a good idea. My solution would have been killing
mdrun, and parsing the last intact output line and then recalculate ns/day
Thx for this hint.
Martin
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