Re: AMBER: Improper dihedral

From: David A. Case <>
Date: Mon, 12 Jan 2004 12:14:22 -0800

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
Received on Wed Jan 14 2004 - 15:53:15 PST
Custom Search