AMBER Archive (2004)

Subject: Re: AMBER: Improper dihedral

From: David A. Case (
Date: Mon Jan 12 2004 - 14:14:22 CST

On Mon, Jan 12, 2004, Herbert Georg wrote:

> Despite the fact that I have the parameters for improper dihedrals in my
> frcmod file, I load a PDB and when I use saveamberparm, leap doesn't
> apply the improper dihedrals parameters to the topology file.

We need to know exactly what commands you gave to LEaP; in particular, how
did you define the DMA residue (with a prepin or off file?)

Also, how did you decide that the impropers were not being applied?



================================================================== David A. Case | e-mail: Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896 The Scripps Research Institute | phone: +1-858-784-9768 10550 N. Torrey Pines Rd. | home page: La Jolla CA 92037 USA | ================================================================== ----------------------------------------------------------------------- The AMBER Mail Reflector To post, send mail to To unsubscribe, send "unsubscribe amber" to