Subject: Parameters for pyridoxal phosphate

From: Dan Strahs <[email-masked]>
Date: Wed, 21 Jan 1998 16:06:14 -0500 (EST)

Hi:

Has anyone parameterized pyridoxal phosphate for use in a standard
mechanics package such as CHARMM or AMBER? If so, are they available?

We would be interested in parameters for simulation of PLP as an enzyme
cofactor. Other alternatives we are considering are ad hoc parameters and
deleting the PLP from the structures of interest. 

Thanks.

				Dan Strahs