next up previous contents index
Next: Conformation vs. Residue Up: Geometric and Energetic Previous: Example: Distances between

Deviations from Ideality and Crystal Packing

      The following example file shows how to analyze the rms\ deviations from ideality for bonds and bond, dihedral, and improper angles as well as nonbonded contacts. In this particular example crystallographic symmetry is present, and the crystal packing contacts are analyzed as well.

geomanal.inp


Web Manager
Sat Mar 11 09:37:37 PST 1995