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
[EMAIL PROTECTED]       [EMAIL PROTECTED]   http://folding.bmc.uu.se
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