[gmx-users] electrostatic interaction

Mark Abraham Mark.Abraham at anu.edu.au
Mon Nov 15 23:42:06 CET 2010

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.


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