AMBER Archive (2004)

Subject: Re: AMBER: Improper dihedral

From: Bill Ross (
Date: Mon Jan 12 2004 - 12:21:03 CST

> 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. What do I
> have to do to have the impropers apllied??

One would have to see the atom types (not visible in the
pdb file - the prep file would show this) to see why the
impropers are not being applied.

Bill Ross

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