Re: AMBER: Phase for torsion angle different of 0 or 180 ?

From: David A. Case <>
Date: Fri, 26 Sep 2003 13:41:35 -0700

On Fri, Sep 26, 2003, Teletcha Stphane wrote:
> But i didn't find any example where the phase angle is different of 0.0
> or 180.
> Has it something to do with the Fourier transform applied, or is it just
> the parametrisation itself that imposes this.
> Can i put another value, and if yes, whatever i want (33.5, 75, ...)

"Ordinary" torsional terms always have phases of 0 or 180 as you note. But
I think the program will accept other values, if you have a good reason for
using them. Note that if you want artificial restraints (as opposed to
a "real" force field) using nmropt=1 is probably an easier way to proceed.

...good luck...dac

David A. Case                     |  e-mail:
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
10550 N. Torrey Pines Rd.         |  home page:                   
La Jolla CA 92037  USA            |
The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Fri Sep 26 2003 - 21:53:01 PDT
Custom Search