[gmx-users] Problem in genion

[David van der Spoel]

C.RAMYA wrote:
> Hello,
> 
>    I am facing a problem while trying to neutralize my molecule.
> My molecule is a protein and after writing input file[.tpr] on seeing a
> charge of 6.00000e+ i am trying to neutralize it by using 6 CL- ions. when
> i have tried 'genion' for small molecules it was running fine,but for this
> molecule it has been running since 2 days.
> The only message being shown is that only 1 CL- has been introduced.Can
> you please help me out with the necessary steps needed.
> I am actually new to Gromacs,so please help me get through and if possible
> suggest some good material.
> 
sounds like a compiler problem that has been fixed. what OS and copiler 
are you using?

-- 
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://folding.bmc.uu.se
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