[gmx-users] Fatal error:Max#atoms in a charge group:38>32

[acorrea at unisa.it]

Quoting David van der Spoel <spoel at xray.bmc.uu.se>:

> On Mon, 2004-10-04 at 12:00, acorrea at unisa.it wrote:
> > Is it possible to change, in a simple way, the max number of atoms in a
> charge
> > group? 
> Not on a 32 bit processor. Why do you need it?

I'm studing the interaction between two ions with opposite charge. I'm using
cut-off with reaction field correction. I would like define just two charge
group, one for anion and the other one for cation but the  anion contains 38
atoms. (the cation is ok, just 25 atoms).
My molecules do not contein part of them with net charge of null charge.
Thank you for any suggestion
andrea

> 
> > Thank you
> > andrea
> > 
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> -- 
> David.
> ________________________________________________________________________
> David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596,  	75124 Uppsala, Sweden
> phone:	46 18 471 4205		fax: 46 18 511 755
> spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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