[gmx-users] Re: Genion and number of Ions (David van der Spoel)

[David]

On Mon, 2002-09-30 at 17:13, Christoph Freudenberger wrote:
> K.A. Feenstra wrote:
> > Surely, you don't mean that a charge of 100000 (1e+5) would not be 
> > wrong?!? (Did you mean to type 1e-5, i.e. 0.00001?)
> 
> Sure... that was a typo ;-)
> here's an original output:
> 
> WARNING 1 [file "emi_cl_0032.top", line 18]:
>    System has non-zero total charge: 1.146644e-05
> 
> 
> Has anybody else encountered this? Or do I have to check my topology?
No, this is a rounding error.
> 
> regards
> -- 
> Christoph Freudenberger
> Abt. Organische Chemie I AK Siehl - Uni Ulm -Tel: ++49-731-502-2785
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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