[gmx-users] small charge with PME

[Itamar Kass]

  As I thought, thanks Dallas.

----- Original Message ----- 
From: "Dallas Warren" <dallas.warren at vcp.monash.edu.au>
To: <gmx-users at gromacs.org>
Sent: Tuesday, March 02, 2004 1:08 AM
Subject: Re: [gmx-users] small charge with PME


>
> >    Dear all, I am using PME and understood that the net charge should be
> > zero, So I enter two Na ions into the system.  My question is, when I
run
> > grompp I get in the output  the line "System has non-zero total charge:
> > 1.213700e-05" means the system is not neutral.  Does this change
> > something?  Do I need to change the Na charge in order to bring the
> > system to be completely zero?
>
> Rounding error, don't worry about it.
>
> Catch ya,
>
> Dr. Dallas Warren
> Research Fellow
> Department of Pharmaceutical Biology and Pharmacology
> Victorian College of Pharmacy, Monash University
> 381 Royal Parade, Parkville VIC 3010
> dallas.warren at vcp.monash.edu.au
> +61 3 9903 9083
> --------------------------------------------------------------------------
> When the only tool you own is a hammer, every problem begins to resemble a
nail.
>
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
>