[gmx-users] question about dihedral angle in *.itp file
David van der Spoel
spoel at xray.bmc.uu.se
Wed Jan 3 08:51:47 CET 2007
linfu wrote:
> Dear GMX community!
>
> I have a question about dihedral angle in *.itp file.
> question 1:
>
> why several torsional dihedral angles with different parameters can be defined
> on the same set of atoms i, j, k, and l.
why not?
>
> question 2:
>
> how do we get multiplicity m if we want to make some parameter for some torsional
> angle.
which functional form? check equations in chapter 4.
--
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://folding.bmc.uu.se
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