Hello
Try this and also mention the residue number after :
Your atom mask should look like this
:<residue number>.<Atom name>
dihedral OCCO0 :.O :.C1 :.C2 :.O out dihedral.dat (it shows 0)
dihedral OCCO1 :.O :.C1 :.C1 :.O out dihedral.dat (it shows nan)
dihedral OCCO2 :.O :.C2 :.C2 :@O out dihedral.dat (it shows nan)
dihedral OCCO3 :.O ":.CT|.C1|.C2" ":@CT|.C1|.C2" :@O out dihedral.dat (it
shows
nan)
On Tuesday, November 12, 2019, 조준범 <j1300704.gmail.com> wrote:
> Thank you for advice.
>
> I've tried but results show all zeros or nans. Why it happens?
> My commands are as follow.
>
> dihedral OCCO0 .O .C1 .C2 .O out dihedral.dat (it shows 0)
> dihedral OCCO1 .O .C1 @C1 @O out dihedral.dat (it shows nan)
> dihedral OCCO2 .O @C2 @C2 @O out dihedral.dat (it shows nan)
> dihedral OCCO3 @O "@CT|.C1|.C2" "@CT|.C1|.C2" @O out dihedral.dat (it shows
> nan)
>
> 2019년 11월 11일 (월) 오후 9:50, David A Case <david.case.rutgers.edu>님이 작성:
>
> > On Mon, Nov 11, 2019, 조준범 wrote:
> > >
> > >I have no idea about how to calculate dihedral distribution.
> > >What command should I use? 'dihedral' or 'multidihedral' or
> > >'clusterdihedral'?
> > >
> > >I want to see the distribution of O-C-C-O and C-O-C-C of PEO.
> >
> > The 'dihedral' command is what you want here; you would issue two such
> > commands, one for each of the two dihedrals you want.
> >
> > ....good luck....dac
> >
> >
> > _______________________________________________
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> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
> --
>
> *Junbeom Cho*
>
> Integrated Ph. D. Student
>
>
>
> Theoretical and Computational Soft Matters Laboratory
>
> School of Chemical and Biological Engineering
>
> Seoul National University
>
> 1, Gwanak-ro, Gwanak-gu, Seoul, 08826, Korea
>
>
>
> Tel: +82-2-880-1529
>
> E-mail: cjb0704.snu.ac.kr
> _______________________________________________
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>
--
Best Regards
Elvis Martis
Mumbai.
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Received on Mon Nov 11 2019 - 20:00:02 PST
