1 double precision a0thet,athet,bthet,polthet,gthet,theta0,sig0,
2 & sigc0,dsc,dsc_inv,bsc,censc,gaussc,dsc0,vbl,vblinv,vblinv2,
3 & vbl_cis,vbl0,vbld_inv
4 integer nlob,loc_start,loc_end,ithet_start,ithet_end,
5 & iphi_start,iphi_end,iphid_start,iphid_end,ibond_start,ibond_end,
6 & ibondp_start,ibondp_end,ivec_start,ivec_end,iset_start,iset_end,
7 & iturn3_start,iturn3_end,iturn4_start,iturn4_end,iint_start,
8 & iint_end,iphi1_start,iphi1_end,itau_start,itau_end,
9 & isaxs_start,isaxs_end
11 C Parameters of the virtual-bond-angle probability distribution
12 common /thetas/ a0thet(-ntyp:ntyp),athet(2,-ntyp:ntyp,-1:1,-1:1)
13 & ,bthet(2,-ntyp:ntyp,-1:1,-1:1),
14 & polthet(0:3,-ntyp:ntyp),gthet(3,-ntyp:ntyp),theta0(-ntyp:ntyp),
15 &sig0(-ntyp:ntyp), sigc0(-ntyp:ntyp)
16 C Parameters of ab initio-derived potential of virtual-bond-angle bending
17 integer nthetyp,ntheterm,ntheterm2,ntheterm3,nsingle,ndouble,
18 & ithetyp(-ntyp1:ntyp1),nntheterm
19 double precision aa0thet(-maxthetyp1:maxthetyp1,
20 &-maxthetyp1:maxthetyp1,-maxthetyp1:maxthetyp1,2),
21 & aathet(maxtheterm,-maxthetyp1:maxthetyp1,
22 &-maxthetyp1:maxthetyp1,-maxthetyp1:maxthetyp1,2),
23 & bbthet(maxsingle,maxtheterm2,-maxthetyp1:maxthetyp1,
24 &-maxthetyp1:maxthetyp1,-maxthetyp1:maxthetyp1,2),
25 & ccthet(maxsingle,maxtheterm2,-maxthetyp1:maxthetyp1,
26 &-maxthetyp1:maxthetyp1,-maxthetyp1:maxthetyp1,2),
27 & ddthet(maxsingle,maxtheterm2,-maxthetyp1:maxthetyp1,
28 &-maxthetyp1:maxthetyp1,-maxthetyp1:maxthetyp1,2),
29 & eethet(maxsingle,maxtheterm2,-maxthetyp1:maxthetyp1,
30 &-maxthetyp1:maxthetyp1,-maxthetyp1:maxthetyp1,2),
31 & ffthet(maxdouble,maxdouble,maxtheterm3,-maxthetyp1:maxthetyp1,
32 &-maxthetyp1:maxthetyp1, -maxthetyp1:maxthetyp1,2),
33 & ggthet(maxdouble,maxdouble,maxtheterm3,-maxthetyp1:maxthetyp1,
34 &-maxthetyp1:maxthetyp1, -maxthetyp1:maxthetyp1,2)
35 common /theta_abinitio/aa0thet,aathet,bbthet,ccthet,ddthet,eethet,
37 & ggthet,ithetyp,nthetyp,ntheterm,ntheterm2,ntheterm3,nsingle,
39 C Parameters of the side-chain probability distribution
40 common /sclocal/ dsc(ntyp1),dsc_inv(ntyp1),bsc(maxlob,ntyp),
41 & censc(3,maxlob,-ntyp:ntyp),gaussc(3,3,maxlob,-ntyp:ntyp),
44 C Virtual-bond lenghts
45 common /peptbond/ vbl,vblinv,vblinv2,vbl_cis,vbl0
46 common /indices/ loc_start,loc_end,ithet_start,ithet_end,
47 & iphi_start,iphi_end,iphid_start,iphid_end,ibond_start,ibond_end,
48 & ibondp_start,ibondp_end,ivec_start,ivec_end,iset_start,iset_end,
49 & iturn3_start,iturn3_end,iturn4_start,iturn4_end,iint_start,
50 & iint_end,iphi1_start,iphi1_end,itau_start,itau_end,
51 & isaxs_start,isaxs_end
52 C Inverses of the actual virtual bond lengths
53 common /invlen/ vbld_inv(maxres2)