+++ /dev/null
- double precision a0thet,athet,bthet,polthet,gthet,theta0,sig0,
- & sigc0,dsc,dsc_inv,bsc,censc,gaussc,dsc0
- integer nlob
-C Parameters of the virtual-bond-angle probability distribution
- common /thetas/ a0thet(-ntyp:ntyp),athet(2,-ntyp:ntyp,-1:1,-1:1),
- & bthet(2,-ntyp:ntyp,-1:1,-1:1),polthet(0:3,-ntyp:ntyp),
- & gthet(3,-ntyp:ntyp),theta0(-ntyp:ntyp),sig0(-ntyp:ntyp),
- & sigc0(-ntyp:ntyp)
-C Parameters of the side-chain probability distribution
- common /sclocal/ dsc(ntyp1),dsc_inv(ntyp1),bsc(maxlob,ntyp),
- & censc(3,maxlob,-ntyp:ntyp),gaussc(3,3,maxlob,-ntyp:ntyp),
- & dsc0(ntyp1),
- & nlob(ntyp1)
-C Parameters of ab initio-derived potential of virtual-bond-angle bending
- integer nthetyp,ntheterm,ntheterm2,ntheterm3,nsingle,ndouble,
- & ithetyp(ntyp1),nntheterm
- double precision aa0thet(maxthetyp1,maxthetyp1,maxthetyp1),
- & aathet(maxtheterm,maxthetyp1,maxthetyp1,maxthetyp1),
- & bbthet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
- & ccthet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
- & ddthet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
- & eethet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
- & ffthet(maxdouble,maxdouble,maxtheterm3,maxthetyp1,maxthetyp1,
- & maxthetyp1),
- & ggthet(maxdouble,maxdouble,maxtheterm3,maxthetyp1,maxthetyp1,
- & maxthetyp1)
- common /theta_abinitio/aa0thet,aathet,bbthet,ccthet,ddthet,eethet,
- & ffthet,
- & ggthet,ithetyp,nthetyp,ntheterm,ntheterm2,ntheterm3,nsingle,
- & ndouble,nntheterm
-C Virtual-bond lenghts
- double precision vbl,vblinv,vblinv2,vbl_cis,vbl0,vbld_inv
- integer loc_start,loc_end,ithet_start,ithet_end,iphi_start,
- & iphi_end,iphid_start,iphid_end,ibond_start,ibond_end,
- & ibondp_start,ibondp_end,ivec_start,ivec_end,iset_start,iset_end,
- & iturn3_start,iturn3_end,iturn4_start,iturn4_end,iint_start,
- & iint_end,iphi1_start,iphi1_end,
- & ibond_displ(0:max_fg_procs-1),ibond_count(0:max_fg_procs-1),
- & ithet_displ(0:max_fg_procs-1),ithet_count(0:max_fg_procs-1),
- & iphi_displ(0:max_fg_procs-1),iphi_count(0:max_fg_procs-1),
- & iphi1_displ(0:max_fg_procs-1),iphi1_count(0:max_fg_procs-1),
- & ivec_displ(0:max_fg_procs-1),ivec_count(0:max_fg_procs-1),
- & iset_displ(0:max_fg_procs-1),iset_count(0:max_fg_procs-1),
- & iint_count(0:max_fg_procs-1),iint_displ(0:max_fg_procs-1)
- common /peptbond/ vbl,vblinv,vblinv2,vbl_cis,vbl0
- common /indices/ loc_start,loc_end,ithet_start,ithet_end,
- & iphi_start,iphi_end,iphid_start,iphid_end,ibond_start,ibond_end,
- & ibondp_start,ibondp_end,ivec_start,ivec_end,iset_start,iset_end,
- & iturn3_start,iturn3_end,iturn4_start,iturn4_end,iint_start,
- & iint_end,iphi1_start,iphi1_end,iint_count,iint_displ,ivec_displ,
- & ivec_count,iset_displ,
- & iset_count,ibond_displ,ibond_count,ithet_displ,ithet_count,
- & iphi_displ,iphi_count,iphi1_displ,iphi1_count
-C Inverses of the actual virtual bond lengths
- common /invlen/ vbld_inv(maxres2)