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