[gmx-users] System Charge

[Mark Abraham]

Hi,

I'm not sure either, but perhaps you should look at the output of genion
and see what it said it was doing.

Mark

On Mon, Jun 5, 2017 at 8:35 PM Pandya, Akash <akash.pandya.15 at ucl.ac.uk>
wrote:

> Hi,
>
> Well I have to add 50mM of NaCl to my system, so I specified that on the
> genion command with the flag -conc and also entered -neutral. But it still
> came up with a charge of 9.000026 so I am not sure?
>
> Akash
>
> -----Original Message-----
> From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [mailto:
> gromacs.org_gmx-users-bounces at maillist.sys.kth.se] On Behalf Of Mark
> Abraham
> Sent: 05 June 2017 19:30
> To: gmx-users at gromacs.org; gromacs.org_gmx-users at maillist.sys.kth.se
> Subject: Re: [gmx-users] System Charge
>
> Hi,
>
> Is that a suitable model of your simulation system? Why is it better than
> one with a different number of ions?
>
> Mark
>
> On Mon, 5 Jun 2017 20:22 Pandya, Akash <akash.pandya.15 at ucl.ac.uk> wrote:
>
> > Hi all,
> >
> > My system has still got a non-zero total charge of 9 after adding the
> > counter-ions. Do I need for it to be zero in order to run the
> > simulation or is it fine?
> >
> >
> > Akash
> >
> >
> >
> > --
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