Re: AMBER: Improper dihedral

From: Bill Ross <>
Date: Mon, 12 Jan 2004 11:52:53 -0800 (PST)

> 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

I will leave this to the current leap support staff.

Bill Ross

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