AMBER Archive (2003)

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

From: David A. Case (case_at_scripps.edu)
Date: Fri Sep 26 2003 - 15:41:35 CDT

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 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
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