Amber parameters and charges
I hope that this message will be readable
Dear colleagues,
I am currently testing several forcefields for minimization of drug-like
molecules.
These forcefields are CVFF, CFF91, TRIPOS and AMBER as implemented in
SYBYL 6.3. For all the molecules under study, AMBER parameters or charges
are missing.So can you tell me whether there is any library of AMBER
parameters
and charges ? At this point, I can mention that several groups have recently
published AMBER parameters for some cofactors. In addition, use of the AMBER
forcefield
in ligand docking studies has been documented, see for instance the
abstracts of the Molecular Graphics Society Meeting held in York (September
1996) but with no details on parameters anc charges.
Thanking you in advance for the attention you will pay to this query. I will
send a
summary of the replies,
Sincerely,
Bernard Pirard
Computational Chemistry Group
Zeneca Agrochemicals
Jealott s Hill
Bernard.B.Pirard ( ( at ) ) GBJHA.zeneca.com