AMBER Archive (2005)

Subject: AMBER: puzzling gaff parameter

From: Oliver Hucke (ohucke_at_u.washington.edu)
Date: Tue Jun 14 2005 - 20:16:35 CDT

Dear all,

The gaff.dat file of amber8 contains a puzzling angle
of 177.57 degrees for an sp1 system. Should this not
be 180.00 degrees?

c3-c1-n1 58.3 177.57 SOURCE2 3 2.3778 2.5773

Regards,
Christophe
--------------------------------------------------------------
   Christophe Verlinde, Ph.D. Associate Professor

   Depts. of Biochemistry & Biological Structure
   Biomolecular Structure Center
   1959 NE Pacific Ave.
   University of Washington, Box 357742, Seattle WA 98195
   T: (206) 543 8865 F: (206) 685 7002
   E-mail: verlinde_at_u.washington.edu
   URL: www.bmsc.washington.edu/people/verlinde
--------------------------------------------------------------

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu