[gmx-users] electrostatic interaction
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:
> 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?
Use an "energy group exclusion". See manual.
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