[gmx-users] rc or rlist in minimum image convention?

[Juliette N.]

Hi all,

My average size is 2.9 nm obtained from NPT under large pressure and now I
intend  to increase rc to 1.4 and rlist to 1.65 nm. I am just worried about
violating minimum image convention.

1- My question is which of rc or rlist is important for minimum image
convention? If its rlist then I think I have to make a bigger system.

2- Will the simulation raise warning once half of the box size < rc or
(rlist) ? I mean I want to make sure than over the course of simulation I
am not breaching this rule.

Thanks for your guidance,
J.
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