[gmx-users] Long range energy

nicolas Dinter dinter at rc.m-kagaku.co.jp
Fri Jul 30 10:36:26 CEST 2004


dear Gromacs users,

I would like to know why when I run my calculation with vdwtype = cutt-off I
don't have long range energies (LJLR,coulLR) and when I run it with exactly
the same file switching the vdw to vdwtype = shift I have it.

Nicolas Dinter




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