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

[xianghong qi]

Thanks, Mark.  That means I can set energygrp_excl = Protein Protein, then I
can get rid of  those parameter which are related to electrostatics, Vdw(
like rcoulomb, vdw-type, rvdw, rvdw-switch, etc).  Am I right?
Thanks so much.
-Xianghong Qi

On Tue, Nov 18, 2008 at 7:19 PM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:

> 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
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