Flex.defn

       This file contains labels and definitions for flexible bond identification. The drive_id field corresponds to a torsion type in the flex_drive.tbl file. The minimize field is a flag for whether the bond may be minimized. Two definition lines must be present. Each definition corresponds to an atom at either end of the bond.

Sample Entries

                   ______________________________________
                   name sp3-sp3
                   drive_id 3
                   minimize 1
                   definition .3 [ 3 H ] [ 3 O.co2 ]
                   definition .3 [ 3 H ] [ 3 O.co2 ]
                   ______________________________________
                   name sp3-sp2
                   drive_id 4
                   minimize 1
                   definition .3 [ 3 H ] [ 3 O.co2 ]
                   definition .2 [ 2 H ] [ 2 O.co2 ]
                   ______________________________________
                   name sp2-sp2
                   drive_id 2
                   minimize 0
                   definition .2 [ 2 H ] [ 2 O.co2 ]
                   definition .2 [ 2 H ] [ 2 O.co2 ]
                   ______________________________________

DOCK 6