[gmx-users] How to increase the volatile gpu-util

leila karami karami.leila1 at gmail.com
Sat Jul 29 12:24:50 CEST 2017

Dear Mark,

The nstlist is 20 in my mdp file in my firast md simulation (5
microseconds). I have 3 other MD simulations.

> You could try a higher nstlist, as the message reports, eg gmx mdrun > -nstlist 25 but you'll only get a small improvement.

I want to compare results of these 4 simulations. Can I do first MD
simulation with nstlist 20 and 3 other MD simulation with higher
nstlist? Is my manner true and resonable?


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