[gmx-users] Question on [ angles ] in topology file?

[David van der Spoel]

Chze Ling Wee wrote:
> Hi GMX users -
> 
> In the [ angles ] section of the topology file for a protein, is there a 
> minimum or maximum angle value that can be specified i.e.
> 
> [ angles ]
> ;  i     j    k     funct   angle  force.c.
> 1  2  3  1    x  250
> 
> Is there a range of values x can take? Can x be negative?
> 
> Are x = -90 and x = 270 equivalent?
> 

0<angle<180

since we use an arccos it has to be in this range.
-- 
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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