AMBER Archive (2008)

Subject: Re: AMBER: Dihedral Angle Parameters

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Thu Jun 26 2008 - 16:30:53 CDT

symmetric about what? if still a cosine term, then it has an intrinsic symmetry.
by varying phases, you can change symmetry about 0 if that's what you mean.

On Thu, Jun 26, 2008 at 5:07 PM, Ilyas Yildirim
<yildirim_at_pas.rochester.edu> wrote:
> Dear AMBER users,
>
> I realized that the amber dihedral parameters are symmetric; the torsional
> energy vs angle has a symmetric character. Is it reasonable to create
> dihedral parameters for a particular dihedral angle such that it will have
> an asymmetric torsional energy function in amber force field? Thanks in
> advance.
>
> Best,
>
> --
> Ilyas Yildirim
> ---------------------------------------------------------------
> = Department of Physics - =
> = University of Rochester - =
> = 585-275-6766 (office) - 585-267-5644 (home) =
> = http://www.pas.rochester.edu/~yildirim/ =
> ---------------------------------------------------------------
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber_at_scripps.edu
> To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
> to majordomo_at_scripps.edu
>
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo_at_scripps.edu