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

[leila karami]

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?

Best