[gmx-users] Manual Counterion Placement
mcharend at sbcglobal.net
Mon Sep 19 01:46:47 CEST 2011
I would like to manually place a counterion into my system with the
genion command for which I am pretty sure I will need an index file. My question
is how to properly select the specific water atoms / or SOL residue(?) number
(that I get from my pdb or gro file) so that it comes up as an option when I
run genion. I looked at the make_ndx options, but they weren't too clear to me.
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