[gmx-users] make_ndx

ZHAO Lina lnzhao99 at gmail.com
Sun Mar 27 07:42:44 CEST 2011


Does the "!" in make_ndx work?

"|" and "&" work, but seems "!" not work.

I met something weird,
I choose a C11, which is from ri 1-111.
if use
a C11, the atom is 111
if use
a C11 & ri 1-111, the atom is 111
if use
a C11 & ri 101-111, the atom is 5. Which is expected to be 10, so this
situation is wrong.
if use
a C11 & ri 1-100, the atom is 100, which is right.

I want to know  how can I use "!" to exclude some group?

This mistake is reproducible and I didn't figure it out (Even I examined the

Thanks for any suggestion.

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