Description of field "avg_energy"

(Gerstein Lab only: Edit this entry)
Field Type unknown
Short Description Average CHARMM energy of intermediate frames
Long Description The average of the energies calculated for individual frames generated by XPLOR. The first and last frames are not included in this average, since these do not have any energy minimization performed beyond the filling in of missing atoms (and the resulting energy is usually very high). This figure is not necessarily biologically significant, but is useful for ranking morphs since the energies for individual conformation changes may vary considerably.

[help] [home] [movies]
Copyright 1995-2005 M. Gerstein, W. Krebs, S. Flores, N. Echols, and others
Email: Mark.Gerstein _at_