Thomas Schlesier skrev 2010-09-23 13.03:
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
I guess that's because ! is not a binary operator. If you want the union
of 1 and all that is not in 2, then try '1 | ! 2'.
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Erik Marklund, PhD student
Dept. of Cell and Molecular Biology, Uppsala University.
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phone: +46 18 471 4537 fax: +46 18 511 755
er...@xray.bmc.uu.se http://folding.bmc.uu.se/
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