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

Mark Abraham Mark.Abraham at anu.edu.au
Wed Nov 19 01:19:21 CET 2008

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.


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