source/unres/src-HCD-5D/COMMON.QRESTR

   1 ! Variables corresponding to umbrella sampling with restraints on Q and
   2 ! angles
   3 ! Q on interresidue distances
   4       integer nfrag,npair,ifrag(2,50,maxprocs/20),
   5      & ipair(2,100,maxprocs/20),iset,mset(maxprocs/20),nset
   6        double precision eq_time,wfrag(50,maxprocs/20),
   7      & wpair(100,maxprocs/20),qfrag(50),qpair(100),
   8      & qinfrag(50,maxprocs/20),qinpair(100,maxprocs/20),
   9      & Ucdfrag,Ucdpair,dUdconst(3,0:MAXRES),Uconst,
  10      & dUdxconst(3,0:MAXRES),dqwol(3,0:MAXRES),dxqwol(3,0:MAXRES)
  11       common /qmeas/ qfrag,qpair,qinfrag,qinpair,wfrag,wpair,eq_time,
  12      & Ucdfrag,Ucdpair,dUdconst,dUdxconst,dqwol,dxqwol,Uconst,
  13      & iset,mset,nset,ifrag,ipair,npair,nfrag
  14 ! Local restraints
  15       double precision qloc(3,maxfrag_back),qin_back(3,maxfrag_back,
  16      & maxprocs/20),uconst_back,
  17      & utheta(maxfrag_back),ugamma(maxfrag_back),uscdiff(maxfrag_back),
  18      & dutheta(maxres),dugamma(maxres),duscdiff(3,maxres),
  19      & duscdiffx(3,maxres),wfrag_back(3,maxfrag_back,maxprocs/20)
  20       integer nfrag_back,ifrag_back(3,maxfrag_back,maxprocs/20)
  21       common /back_constr/ uconst_back,utheta,ugamma,uscdiff,
  22      & dutheta,dugamma,duscdiff,duscdiffx,
  23      & qin_back,qloc,wfrag_back,nfrag_back,ifrag_back