[gmx-users] make index groups with make_ndx

reisingere at rostlab.informatik.tu-muenchen.de reisingere at rostlab.informatik.tu-muenchen.de
Tue Sep 18 10:56:14 CEST 2012


Hi everybody,
 I want to make two index groups for my protein. The first one should
contain the whole protein except of the residues :
TYR65, Pro6, Phe7, Tyr61, Arg64, Tyr80

I tried it with the arguments:
"protein" &! res 65 &! res 6 &! res 7 &! res 61 &! res 64 &! res 80
"protein" &! res 65 6 7 61 64 80

Both didn't work.

The other index group should only contain the residues:
TYR65, Pro6, Phe7, Tyr61, Arg64, Tyr80

Here I tried:
res 6 & res 7 & res 61 & res 64 & res 65 & res 66

This worked.

So I don't understand why the negation of this command did not work in the
first index group.

Can you please help me?

Thank you,
 Eva




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