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

[Christoph Freudenberger]

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?

regards
-- 
Christoph Freudenberger
Abt. Organische Chemie I AK Siehl - Uni Ulm -Tel: ++49-731-502-2785