[gmx-users] Re: how to turn off the interamolecular interaction

[Mark Abraham]

xianghong qi wrote:
> Dear  all:
> 
> I have a simple system which has two methane molecules with water. Now I 
> need turn off the intermolecular interactions between these two methanes 
> and just run
> simulation. So I can get the random placement of two methanes.  The 
> question is how to turn off the intermolecular interaction. Does anyone 
> have suggestions for that?

Look for "energy group exclusions" in the manual.

Mark