[gmx-users] minimize the contribution from the reciprocal space in PME
wz24 at zips.uakron.edu
Thu Sep 4 23:56:14 CEST 2014
In my system I want to exclude the interactions between several charged
organics. The energy group can not be used to exclude the long-rang
interaction in Particle mess ewald. Is there any way to minimize the
contribution from the reciprocal space? Thanks a lot for your help.
Sahai's Research Group
Department of Polymer Science
Goodyear Polymer Center RM 631
University of Akron
170 University Ave.
Akron, OH 44325
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