Residue numbers are specified by : so your masks should really be :3,4,5.O*
HTH,
Jason
On Sun, Sep 11, 2011 at 10:40 PM, kirtana S <skirtana4.gmail.com> wrote:
> When I specify 3.O*,4.O*,5.O* this should take only 9 atoms whereas in
> ptraj
> output it has taken 1260 atoms . What should my representation in the list
> when I want to consider only three oxygen atoms in each residue.
> Here residue 3 consists of 3 oxygen atoms and I want to calculate the water
> shell contacts with these atoms.
>
> Thanks
> kirtana
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--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Sun Sep 11 2011 - 21:00:02 PDT
