[gmx-users] Ions or neutral atoms?

[David]

On Fri, 2003-07-11 at 08:23, Semen Esilevsky wrote:
> > Check force field files, top file and finally tpr
> > file before you start
> > the simulation. The latter has the information that
> > goes into mdrun.
> 
> Well, I don't know where is the charge there...
Charge is called q so look for q or Rb
> 
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
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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