1 double precision a0thet,athet,bthet,polthet,gthet,theta0,sig0,
2 & sigc0,dsc,dsc_inv,bsc,censc,gaussc,dsc0
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),
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),
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,
24 & ggthet(maxdouble,maxdouble,maxtheterm3,maxthetyp1,maxthetyp1,
26 common /theta_abinitio/aa0thet,aathet,bbthet,ccthet,ddthet,eethet,
28 & ggthet,ithetyp,nthetyp,ntheterm,ntheterm2,ntheterm3,nsingle,
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,ibond_start,ibond_end,
34 & ibondp_start,ibondp_end,ivec_start,ivec_end,iset_start,iset_end,
35 & iturn3_start,iturn3_end,iturn4_start,iturn4_end,iint_start,
36 & iint_end,iphi1_start,iphi1_end,
37 & ibond_displ(0:max_fg_procs-1),ibond_count(0:max_fg_procs-1),
38 & ithet_displ(0:max_fg_procs-1),ithet_count(0:max_fg_procs-1),
39 & iphi_displ(0:max_fg_procs-1),iphi_count(0:max_fg_procs-1),
40 & iphi1_displ(0:max_fg_procs-1),iphi1_count(0:max_fg_procs-1),
41 & ivec_displ(0:max_fg_procs-1),ivec_count(0:max_fg_procs-1),
42 & iset_displ(0:max_fg_procs-1),iset_count(0:max_fg_procs-1),
43 & iint_count(0:max_fg_procs-1),iint_displ(0:max_fg_procs-1)
44 common /peptbond/ vbl,vblinv,vblinv2,vbl_cis,vbl0
45 common /indices/ loc_start,loc_end,ithet_start,ithet_end,
46 & iphi_start,iphi_end,iphid_start,iphid_end,ibond_start,ibond_end,
47 & ibondp_start,ibondp_end,ivec_start,ivec_end,iset_start,iset_end,
48 & iturn3_start,iturn3_end,iturn4_start,iturn4_end,iint_start,
49 & iint_end,iphi1_start,iphi1_end,iint_count,iint_displ,ivec_displ,
50 & ivec_count,iset_displ,
51 & iset_count,ibond_displ,ibond_count,ithet_displ,ithet_count,
52 & iphi_displ,iphi_count,iphi1_displ,iphi1_count
53 C Inverses of the actual virtual bond lengths
54 common /invlen/ vbld_inv(maxres2)