It appears that the parameters in 53a6 are unchanged relative to 43a1, the
reference for which is the GROMOS manual. Unfortunately, you have to pay the
licensing fee to obtain the manual. There are certainly several literature
references for various aspects of the GROMOS functional form and parameters, but
none that I am aware of that specifically details the derivation of heme.
-Justin
Arthur Roberts wrote:
Hi, All,
Does anyone know where the force field parameters for the heme in the
ff53a6 force field were obtained?
Much appreciated,
Art
Art Roberts
7254 Shoreline Dr. #130
San Diego, CA 92122
cell: 206-850-7468
email: aroberts99...@yahoo.com
skype=aroberts92122
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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