[gmx-users] make_ndx select atoms from different residues

Zhuyi Xue alfred532008 at gmail.com
Tue Jan 31 19:02:20 CET 2012

Hi,  there

I would like to select, for example, CA of GLY, CB of PRO, so I typed r
GLY&  a CA | r PRO&  a CB, but it doesn't work. make_ndx also doesn't
support parenthesis, either.

Previously, I used "r GLY&  a CA" (save as group 1), then "r PRO&  a CB"
(save as group 2), then "1|2", and finally "del 1", "del 1" to complete
my selection, but this is really not ideal!

Is there a easier way to do the selection in one step?

I would really appreciate it if anyone could give a hint.

Thank you.

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