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