AMBER Archive (2004)

Subject: Re: AMBER: Improper dihedral

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Mon Jan 12 2004 - 13:52:53 CST

> In this case the bonds are recognized as I can see with the desc
> command and xleap shows the bonds between the atoms. The centers are in
> the 3rd place also. So I don't know why it doesn't apply the impropers.
> I suppose that, being the center atom in the 3rd place, it doesn't
> matter the order of the remaining 3 atoms, as it seems not to matter in
> the case of BONDS and ANGLES.

It sounds like it should work. How do you know it isn't applying
impropers?

I will leave this to the current leap support staff.

Bill Ross

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