[gmx-users] rlist- group scheme
fpoosaneh at gmail.com
Fri Jan 19 14:23:12 CET 2018
I run a simple example using Table,6,12 (for LJ) with vdW type= user. Then
group scheme should be chosen.
In results, I got different LJ energies when I set rlist=rcoulomb and
rlist>rcoulomb (which is allowed in this scheme). I see in the manual that
with group scheme that can be happen. But I do not find how to get rid of
the differences in energies? or which rlist is the case.
However, when I run with vdW type= cutoff for both rlist rlist=rcoulomb
and rlist>rcoulomb with group scheme I get similar results.
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