[gmx-users] Improper dihedral angle: -30 degree or (360-30) degree
trinhlanhoa at gmail.com
Sun Sep 10 15:13:29 CEST 2017
I read the chapter more than 3 times already, what I found is just "Note
that in the input in topology files, angles are
given in degrees and force constants in kJ/mol/rad 2 ."
2017-09-10 7:19 GMT-05:00 Mark Abraham <mark.j.abraham at gmail.com>:
> Check out the sections in chapter four of the reference manual.
> On Sun, 10 Sep 2017 13:36 Hoa Trinh <trinhlanhoa at gmail.com> wrote:
> > Dear Gromacs community,
> > I'd like to know what is the range of improper dihedral angle, [0,pi] ,
> > [0,2pi] or [-pi, pi] ? For example, if I have an angle belonging to
> > quadrant
> > IV, should the angle be -30 or (360-30) or (180-30) degree?
> > I appreciate your help.
> > Best regards,
> > *Lan Hoa*
> > --
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