Re: [AMBER] improper Dihedral Specification

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Wed, 01 May 2013 15:51:21 -0700

> Is there a way around this?

Change the code.

Bill

"Covington, Cody Lance" <cody.l.covington.Vanderbilt.Edu> wrote:

> Hello
>
> Concerning improper dihedrals to preserve chirality.
> If I am using improper dihedrals in this way, then the atoms that make the angle are not necessarily bonded.
> I have read that LEaP will assign them based on the basis of the atoms being bonded to one another.
> Is there a way around this?
>
> Thanks
> Cody
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Received on Wed May 01 2013 - 16:00:03 PDT
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