C data structure MMDG C ===================== C C Common Block distance geometry module C C heap pointers for bounds matrix INTEGER DUBPTR C lengths for bounds matrix INTEGER DUBLEN C number of selected atoms for dg energy term INTEGER NDGSELE C pointer for selection array for dg energy term INTEGER DGSELE C length for selection array for dg energy term INTEGER DGSLEN C scale factor for dg energy term restraints DOUBLE PRECISION DGSCALE C exponent for dg energy term INTEGER DGEXPO C flag indicating that vdw bounds have been added to bounds matrix INTEGER DGQVDW C C C integer block C COMMON/MMDGC/ DUBPTR, DUBLEN, NDGSELE, DGSELE, DGSLEN, DGEXPO, & DGQVDW C C double precision block C COMMON/MMDGD/ DGSCALE SAVE /MMDGC/ SAVE /MMDGD/