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,itau_start,itau_end,
6 & itube_start,itube_end
8 C Parameters of the virtual-bond-angle probability distribution
9 common /thetas/ a0thet(-ntyp:ntyp),athet(2,-ntyp:ntyp,-1:1,-1:1)
10 & ,bthet(2,-ntyp:ntyp,-1:1,-1:1),
11 & polthet(0:3,-ntyp:ntyp),gthet(3,-ntyp:ntyp),theta0(-ntyp:ntyp),
12 &sig0(-ntyp:ntyp), sigc0(-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:ntyp1),nntheterm
16 double precision aa0thet(-maxthetyp1:maxthetyp1,
17 &-maxthetyp1:maxthetyp1,-maxthetyp1:maxthetyp1,2),
18 & aathet(maxtheterm,-maxthetyp1:maxthetyp1,
19 &-maxthetyp1:maxthetyp1,-maxthetyp1:maxthetyp1,2),
20 & bbthet(maxsingle,maxtheterm2,-maxthetyp1:maxthetyp1,
21 &-maxthetyp1:maxthetyp1,-maxthetyp1:maxthetyp1,2),
22 & ccthet(maxsingle,maxtheterm2,-maxthetyp1:maxthetyp1,
23 &-maxthetyp1:maxthetyp1,-maxthetyp1:maxthetyp1,2),
24 & ddthet(maxsingle,maxtheterm2,-maxthetyp1:maxthetyp1,
25 &-maxthetyp1:maxthetyp1,-maxthetyp1:maxthetyp1,2),
26 & eethet(maxsingle,maxtheterm2,-maxthetyp1:maxthetyp1,
27 &-maxthetyp1:maxthetyp1,-maxthetyp1:maxthetyp1,2),
28 & ffthet(maxdouble,maxdouble,maxtheterm3,-maxthetyp1:maxthetyp1,
29 &-maxthetyp1:maxthetyp1, -maxthetyp1:maxthetyp1,2),
30 & ggthet(maxdouble,maxdouble,maxtheterm3,-maxthetyp1:maxthetyp1,
31 &-maxthetyp1:maxthetyp1, -maxthetyp1:maxthetyp1,2)
32 common /theta_abinitio/aa0thet,aathet,bbthet,ccthet,ddthet,eethet,
34 & ggthet,ithetyp,nthetyp,ntheterm,ntheterm2,ntheterm3,nsingle,
36 C Parameters of the side-chain probability distribution
37 common /sclocal/ dsc(ntyp1),dsc_inv(ntyp1),bsc(maxlob,ntyp),
38 & censc(3,maxlob,-ntyp:ntyp),gaussc(3,3,maxlob,-ntyp:ntyp),
41 C Virtual-bond lenghts
42 common /peptbond/ vbl,vblinv,vblinv2,vbl_cis,vbl0
43 common /indices/ loc_start,loc_end,ithet_start,ithet_end,
44 & iphi_start,iphi_end,itau_start,itau_end,
45 & itube_start,itube_end
46 C Inverses of the actual virtual bond lengths
47 common /invlen/ vbld_inv(maxres2)