[gmx-users] electrostatic interaction

[Mark Abraham]

On 16/11/2010 7:14 AM, nishap.patel at utoronto.ca wrote:
> Hello,
>
>    I want to turn off electrostatic interactions between CH4 and SOL 
> in my system. I am using ffG53a6 forcefield for CH4 and spc for my 
> water model. CH4 is an united atom and so I can't make the charges 
> zero in the topology. Is there any other way I can turn off 
> electrostatic interactions?
>
> Thanks.
>
> -Nisha
>
Use an "energy group exclusion". See manual.

Mark