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

[Justin A. Lemkul]

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.

-Justin

> 
> THanks!!
> 

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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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