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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