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