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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