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:ntyp1),nntheterm double precision aa0thet(-maxthetyp1:maxthetyp1, &-maxthetyp1:maxthetyp1,-maxthetyp1:maxthetyp1,2), & aathet(maxtheterm,-maxthetyp1:maxthetyp1, &-maxthetyp1:maxthetyp1,-maxthetyp1:maxthetyp1,2), & bbthet(maxsingle,maxtheterm2,-maxthetyp1:maxthetyp1, &-maxthetyp1:maxthetyp1,-maxthetyp1:maxthetyp1,2), & ccthet(maxsingle,maxtheterm2,-maxthetyp1:maxthetyp1, &-maxthetyp1:maxthetyp1,-maxthetyp1:maxthetyp1,2), & ddthet(maxsingle,maxtheterm2,-maxthetyp1:maxthetyp1, &-maxthetyp1:maxthetyp1,-maxthetyp1:maxthetyp1,2), & eethet(maxsingle,maxtheterm2,-maxthetyp1:maxthetyp1, &-maxthetyp1:maxthetyp1,-maxthetyp1:maxthetyp1,2), & ffthet(maxdouble,maxdouble,maxtheterm3,-maxthetyp1:maxthetyp1, &-maxthetyp1:maxthetyp1, -maxthetyp1:maxthetyp1,2), & ggthet(maxdouble,maxdouble,maxtheterm3,-maxthetyp1:maxthetyp1, &-maxthetyp1:maxthetyp1, -maxthetyp1:maxthetyp1,2) 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,itau_start,itau_end,ilip_start, & ilip_end,itube_start,itube_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,itau_start,itau_end, & iset_count,ibond_displ,ibond_count,ithet_displ,ithet_count, & iphi_displ,iphi_count,iphi1_displ,iphi1_count, & ilip_start,ilip_end,itube_start,itube_end C Inverses of the actual virtual bond lengths common /invlen/ vbld_inv(maxres2)