[gmx-users] question about dihedral angle in *.itp file

[David van der Spoel]

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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