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