c c c ################################################### c ## COPYRIGHT (C) 1992 by Jay William Ponder ## c ## All Rights Reserved ## c ################################################### c c ################################################################ c ## ## c ## freeze.i -- definition of holonomic RATTLE constraints ## c ## ## c ################################################################ c c c rateps convergence tolerance for holonomic constraints c krat ideal distance value for holonomic constraint c nrat number of holonomic distance constraints to apply c nratx number of atom group holonomic constraints to apply c irat atom numbers of atoms in a holonomic constraint c iratx group number of group in a holonomic constraint c kratx spatial constraint type (1=plane, 2=line, 3=point) c ratimage flag to use minimum image for holonomic constraint c use_rattle logical flag to set use of holonomic contraints c c integer nrat,nratx integer irat,iratx integer kratx real*8 rateps,krat logical ratimage,use_rattle common /freeze/ rateps,krat(maxfix),nrat,nratx,irat(2,maxfix), $ iratx(maxfix),kratx(maxfix),ratimage(maxfix), & use_rattle