EMIN - energy minimization

                                  
     EMIN       performs energy minimization or B_factor regularization; 
                minimizes the energy of structure using the restraints
                files from program MAKECIF.
 
                     E_total = E_bond + E_angle + E_tors + E_vdw + E_hb
                                  
                           E_bond  = Sum ( Kb * (Bobs     -Bidl)**2    )
                           E_angle = Sum ( Ka * (ANGLEobs -ANGLEidl)**2)
                           E_tors  = Sum ( Kt * (PHIobs   -PHIidl)**2  )
                           E_vdw   = Lennard-Jones 6-12 potential
                           E_bond  = 10-12 potential

Reference

    Author:    A.A.Vagin
                email: alexei@ysbl.york.ac.uk

    Reference:

    A. A. Vagin, G. N. Murshudov and B. V. Strokopytov
    BLANC: the program suite for protein crystallography 
    J. Appl. Cryst. (1998). 31, 98 - 102

Installation

 See  Installation for MAKECIF