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
Received on Wed Jan 09 2002 - 08:49:36 PST
