[gmx-users] rc or rlist in minimum image convention?
joojoojooon at gmail.com
Fri Feb 24 00:55:35 CET 2012
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,
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