[gmx-users] System Charge

[Pandya, Akash]

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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