AMBER Archive (2002)

Subject: SCEE parameter

From: Sophia Kondratova (x357l_at_unb.ca)
Date: Wed Jan 09 2002 - 10:49:36 CST

I have a question regarding the SCEE parameter. In the manual, it is clearly
stated that if using the parm91.dat force-field to set scee = 2 and if using
the parm94.dat force-field, scee = 1.2. If I were to take certain parameters
(dummy parameters from the 'gibbs free energy of guanine to adenine' example,
in the modified 91 force-field) and use a .frcmod to include it in the 94
force field, would this cause a problem. I know that I would have to use a
SCEE =1.2, because I would be using the 94 force-field, but will this cause my
dummy parameters to be incorrect?

Thanks for any help

Sophia Kondratova
University of New Brunswick
Canada