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.u.washington.edu
URL: www.bmsc.washington.edu/people/verlinde
--------------------------------------------------------------
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Jun 15 2005 - 02:53:00 PDT
