next up previous contents
Next: Ramachandran plot for a Up: Tranal utility Previous: Spatial distribution functions: sdf.f   Contents

Distribution of torsion angles: torsion.f

This utility computes distributions of torsion angles. Several torsion angles can be unified in a group, for which average distribution of the torsion angle is calculated. Distributions for several such groups can be built at a time. For each group, fraction of ``gauche'' and ``trans'' conformations is also printed in the output.

Compilation:

f77 -O3 -o torsion torsion.f tranal_base.f

Input parameters for this utility follow after the trajectory parameters in the following format:


next up previous contents
Next: Ramachandran plot for a Up: Tranal utility Previous: Spatial distribution functions: sdf.f   Contents
Alexander Lyubartsev 2015-02-06