[gmx-users] small charge with PME

Dallas Warren dallas.warren at vcp.monash.edu.au
Tue Mar 2 00:25:01 CET 2004

>    Dear all, I am using PME and understood that the net charge should be 
> zero, So I enter two Na ions into the system.  My question is, when I run 
> grompp I get in the output  the line "System has non-zero total charge: 
> 1.213700e-05" means the system is not neutral.  Does this change 
> something?  Do I need to change the Na charge in order to bring the 
> system to be completely zero?

Rounding error, don't worry about it.

Catch ya,

Dr. Dallas Warren
Research Fellow
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at vcp.monash.edu.au
+61 3 9903 9083
When the only tool you own is a hammer, every problem begins to resemble a nail.

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