[gmx-users] trans fraction of dihedral angles

Milan Melichercik melicher at cray.dbp.fmph.uniba.sk
Wed Feb 25 17:25:01 CET 2004

On Wednesday 25 February 2004 16:20, David wrote:
> On Wed, 2004-02-25 at 17:08, Milan Melichercik wrote:
> > Hi
> > I want calculate the trans fraction of dihedral angles. I found, g_angle
> > can compute this, but when I run g_angle with parameter '-of', it writed:
> > "Warning: calculating fractions as defined in this program
> > makes sense for Ryckaert Bellemans dihs. only. Ignoring -of". But in the
> > manual is that this parameter can be computed only for dihedral angles.
> > So I don't know now.
> Just make a distribution plot and determine the fraction from that.
> g_angle -od
> since the distribution is continuous it involves a definition of what is
> trans.

Yes, this can be of cource done by this way, but I was surprised, manula says 
one thing, but the program another.


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