[gmx-users] Re: Genion and number of Ions (David van der Spoel)
K.A. Feenstra
Feenstra at chem.vu.nl
Mon Sep 30 08:34:03 CEST 2002
Christoph Freudenberger wrote:
>
> I also got warnings from grommp about non-zero charges also the
> charges in the topology added to zero without rounding errors.
> But the total charge of the system was always in the order
> of ~1e+5.
> But I don't think this would give any problems.
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?)
--
Groetjes,
Anton
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| | Anton Feenstra |
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