such as residue 288 which is has C when I tried a C, it's inclusive residue 288. while tried the ri 288 & a C, it showed me Group is empty.
Thanks, On Sun, Mar 27, 2011 at 1:42 PM, ZHAO Lina <lnzha...@gmail.com> wrote: > Hi, > > Does the "!" in make_ndx work? > > "|" and "&" work, but seems "!" not work. > > I met something weird, > suppose > 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 .gro). > > Thanks for any suggestion. > > lina >
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