[gmx-users] How to turn off charge groups
leafyoung81-group at yahoo.com
Fri Jun 2 23:34:06 CEST 2006
Jianwei Wang wrote:
> we use PME and our results (energy terms) seem depend on the charge group
> assignment. Based on the manual, the results should not have anything to do
> with charge groups. How can we turn off the charge groups.
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Make each atom belong to one charge group only.
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