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

xianghong qi xianghong001 at gmail.com
Wed Nov 19 09:36:17 CET 2008

Hi, Mark:

for these two cases
energygrp_excl           = Methane1 Methane2

energygrp_excl           = methane1 methane2

I got same error: methane1(or Methane1 ) is not energy group.

Thanks so much.
-Xianghong Qi

On Wed, Nov 19, 2008 at 3:25 AM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:

> xianghong qi wrote:
> and index file was makde from command make_ndx, I named the two methanes as
>> methane1 and methane2.
> So what's different above and below? :-)
> energygrp_excl           = Methane1 Methane2
> This is why it's important to look at, and report what you *have* done, not
> what you *think* you have done :-) If someone's having a problem doing
> something, then anything filtered through their brain is suspect...
> trouble-shooting is best done with the raw material.
> Mark
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