[gmx-users] output file of mk_angndx
David van der Spoel
spoel at xray.bmc.uu.se
Thu Jan 27 10:58:01 CET 2005
On Thu, 2005-01-27 at 01:12 -0800, Yan Li wrote:
> hi,
>
> mk_angndx generates an index file with the following
> command,
> mk_angndx -s *.tpr -n *.ndx -type dihedral
> I don't understand the meaning of [phi...] in the
> index file. What I want is a file with all dihedral
> angles in protein, including main chain and side chain
> not just phi and psi. Can anyone give me suggestions
> or show me a way to do it?
You can input that index file to make_ndx and combine the groups there.
>
> Thanks,
>
> Stever
>
>
>
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--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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