[gmx-users] mdrun-adjusted cutoffs?!

Alex nedomacho at gmail.com
Tue Dec 4 23:59:31 CET 2018


Hi all,

We've long noticed that at the beginning of simulations mdrun goes through
what seems like trying to adjust the short-range NB radii to its liking.
What is up with that and does this mean that every simulation proceeds with
a new cutoff? If so, is there a way to disable this?

Thank you,

Alex


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