AMBER Archive (2008)
Subject: AMBER: Atom types/parameters for chromene
I am parameterising a chromene unit. Antechamber suggests the CM atom type for the non aromatic double bond, but I am not sure if this fits, epecially because the bond angle parameter is missing.
So my question - which atom types are the best to use for the non-aromatic sp2 carbons in chromene, styrene, enol ethers, or isolated double bonds, and where I can get the parameters?
-- Dr. Anna Katharina Schrey Rungestr. 12 D-10179 Berlin