[gmx-users] Re: make_ndx

[ZHAO Lina]

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 <lnzhao99 at 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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