[gmx-users] System has non-zero total charge: -8.000001e+00

Justin A. Lemkul jalemkul at vt.edu
Thu Feb 25 13:50:07 CET 2010

Maurício Menegatti Rigo wrote:
> IS this a problem?
> /System has non-zero total charge: -8.000001e+00/
> If yes, can I fix that changing COulomb cutt-off to PME electrostatics?

You need to add counterions to your system.  Consult some basic tutorial 
material, as well as the manual entry for genion.


> THanks!!


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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