Should a pairlist warning concern me?

From: Henrik Schopmans (
Date: Mon Oct 28 2019 - 05:59:10 CDT

Dear NAMD users,

I setup a simulation with pairlistdist 14, stepspercycle 10,
fullelectfrequency 1 and nonbondedfreq 1. I also set outputPairlists to
2000 to receive warnings.

Now there is a single warning at the very beginning of my simulation,
"Info: 1 pairlist warnings in past 2000 steps.".

Here ( it
says that the warning does not result in missed interactions and the
pairlistdist is adjusted automatically.
But here (
at the very bottom it says warnings indicate that pairlistdist should be
increased to conserve energy and momentum.

Is my configuration fine? I had set stepspercycle set to 1 initially, but
this resulted in very poor performance. How do you guys determine the right
value for stepspercycle?

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