IC parameters in topology files.

Kris Boulez kris at bionmr1.rug.ac.be
Fri Aug 18 04:25:04 EST 1995


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




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