source/unres/src_MD/COMMON.LOCAL

   1       double precision a0thet,athet,bthet,polthet,gthet,theta0,sig0,
   2      &  sigc0,dsc,dsc_inv,bsc,censc,gaussc,dsc0
   3       integer nlob
   4 C Parameters of the virtual-bond-angle probability distribution
   5       common /thetas/ a0thet(ntyp),athet(2,ntyp),bthet(2,ntyp),
   6      &  polthet(0:3,ntyp),gthet(3,ntyp),theta0(ntyp),sig0(ntyp),
   7      &  sigc0(ntyp)
   8 C Parameters of the side-chain probability distribution
   9       common /sclocal/ dsc(ntyp1),dsc_inv(ntyp1),bsc(maxlob,ntyp),
  10      &  censc(3,maxlob,-ntyp:ntyp),gaussc(3,3,maxlob,-ntyp:ntyp),
  11      &  dsc0(ntyp1),
  12      &    nlob(ntyp1)
  13 C Parameters of ab initio-derived potential of virtual-bond-angle bending
  14       integer nthetyp,ntheterm,ntheterm2,ntheterm3,nsingle,ndouble,
  15      & ithetyp(ntyp1),nntheterm
  16       double precision aa0thet(maxthetyp1,maxthetyp1,maxthetyp1),
  17      & aathet(maxtheterm,maxthetyp1,maxthetyp1,maxthetyp1),
  18      & bbthet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
  19      & ccthet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
  20      & ddthet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
  21      & eethet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
  22      & ffthet(maxdouble,maxdouble,maxtheterm3,maxthetyp1,maxthetyp1,
  23      &  maxthetyp1),
  24      & ggthet(maxdouble,maxdouble,maxtheterm3,maxthetyp1,maxthetyp1,
  25      &  maxthetyp1)
  26       common /theta_abinitio/aa0thet,aathet,bbthet,ccthet,ddthet,eethet,
  27      &  ffthet,
  28      &  ggthet,ithetyp,nthetyp,ntheterm,ntheterm2,ntheterm3,nsingle,
  29      &  ndouble,nntheterm
  30 C Virtual-bond lenghts
  31       double precision vbl,vblinv,vblinv2,vbl_cis,vbl0,vbld_inv
  32       integer loc_start,loc_end,ithet_start,ithet_end,iphi_start,
  33      & iphi_end,iphid_start,iphid_end,itau_start,itau_end,ibond_start,
  34      & ibond_end,
  35      & ibondp_start,ibondp_end,ivec_start,ivec_end,iset_start,iset_end,
  36      & iturn3_start,iturn3_end,iturn4_start,iturn4_end,iint_start,
  37      & iint_end,iphi1_start,iphi1_end,
  38      & ibond_displ(0:max_fg_procs-1),ibond_count(0:max_fg_procs-1),
  39      & ithet_displ(0:max_fg_procs-1),ithet_count(0:max_fg_procs-1),
  40      & iphi_displ(0:max_fg_procs-1),iphi_count(0:max_fg_procs-1),
  41      & iphi1_displ(0:max_fg_procs-1),iphi1_count(0:max_fg_procs-1),
  42      & ivec_displ(0:max_fg_procs-1),ivec_count(0:max_fg_procs-1),
  43      & iset_displ(0:max_fg_procs-1),iset_count(0:max_fg_procs-1),
  44      & iint_count(0:max_fg_procs-1),iint_displ(0:max_fg_procs-1)
  45       common /peptbond/ vbl,vblinv,vblinv2,vbl_cis,vbl0
  46       common /indices/ loc_start,loc_end,ithet_start,ithet_end,
  47      & iphi_start,iphi_end,iphid_start,iphid_end,itau_start,itau_end,
  48      & ibond_start,ibond_end,
  49      & ibondp_start,ibondp_end,ivec_start,ivec_end,iset_start,iset_end,
  50      & iturn3_start,iturn3_end,iturn4_start,iturn4_end,iint_start,
  51      & iint_end,iphi1_start,iphi1_end,iint_count,iint_displ,ivec_displ,
  52      & ivec_count,iset_displ,
  53      & iset_count,ibond_displ,ibond_count,ithet_displ,ithet_count,
  54      & iphi_displ,iphi_count,iphi1_displ,iphi1_count
  55 C Inverses of the actual virtual bond lengths
  56       common /invlen/ vbld_inv(maxres2)