[gmx-users] make_ndx: execlude one group from another

Thomas Schlesier schlesi at uni-mainz.de
Thu Sep 23 13:03:03 CEST 2010

Hi all,
I'm trying to execlude all atoms of group 2 (140 atoms) from group 1 
(300 atoms), so that i have a new group 3 (with 160 atoms).
| is for merging with OR
& for merging with AND
so ! should be for merging with NOT
But i tried
1 ! 2
2 ! 1
but in both cases make_ndx complains about syntax errors
Syntax error: "! 1" ; or same with "! 2"
To use NOT instead of ! doesn't work. But using AND insted of & also 
doesn't work.

So what's the right command for merging with the NOT option?

Greetings Thomas

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