Hello,
In various places in the topology files I found lines like
IC CG CD1 CE1 CZ 0.0000 0.00 0.00 0.0000
I can find however no referenc to this IC parameter in the manual. Is
this the same as the IMPROPER ?
Has anyone already done a calculation on a heme group containing protein.
If so, can you give me an idea about the force constants you used for the
Cys-Heme and ligand-heme bonds ?
Kris,
----
Kris Boulez (Kris.Boulez at rug.ac.be)
Biomolecular NMR unit <http://bionmr1.rug.ac.be/~kris>
University of Ghent, Belgium
