[gmx-users] nrexcl=3

Gavin Melaugh gmelaugh01 at qub.ac.uk
Thu May 5 11:41:08 CEST 2011

Hi all

A very quick question. From the manual the definition of nrexcl =3 is "
excluding nonbonded interactions between atoms that are no further than
3 bonds away. In say butane does this means that atoms 1 and 4 do not
interact, or I take it they interact according to the pair list.


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