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

Mark Abraham Mark.Abraham at anu.edu.au
Wed Nov 19 09:25:25 CET 2008

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.


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