[gmx-users] charge error
Dallas B. Warren
Dallas.Warren at vcp.monash.edu.au
Thu Jul 7 02:07:56 CEST 2005
> I am trying to run a lipid simulation and when grompp the
> lipid structure, it gives a warning which goes as,
> WARNING 1 [file "dmpc128.top", line 26]:
> System has non-zero total charge: 1.144409e-05
> What im wondering is why is there a non-zero charge in the
> system? Is it a serious error which needs to be corrected?
If you want the full story/details from the developers, do a search.
But anyway, it is a rounding error, nothing to worry about.
Dr. Dallas Warren
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 9073
When the only tool you own is a hammer, every problem begins to resemble
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