From: Natalie Esther Smith (
Date: Tue Apr 08 2014 - 23:07:52 CDT

I am running a large all-atom simulation system of protein, lipid membrane and water and as I hope to reach larger timescales it has been suggested that I change the PMETolerance from 10e-6 to 10e-5. However, as I haven't been able to find any examples of other people doing this I am hesitant to pursue this tactic. I wondered if anyone else has tried this with success or if it's advisable?


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