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),nntheterm
17 double precision aa0thet(maxthetyp1,maxthetyp1,maxthetyp1),
18 & aathet(maxtheterm,maxthetyp1,maxthetyp1,maxthetyp1),
19 & bbthet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
20 & ccthet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
21 & ddthet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
22 & eethet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
23 & ffthet(maxdouble,maxdouble,maxtheterm3,maxthetyp1,maxthetyp1,
25 & ggthet(maxdouble,maxdouble,maxtheterm3,maxthetyp1,maxthetyp1,
27 common /theta_abinitio/aa0thet,aathet,bbthet,ccthet,ddthet,eethet,
29 & ggthet,ithetyp,nthetyp,ntheterm,ntheterm2,ntheterm3,nsingle,
31 C Virtual-bond lenghts
32 double precision vbl,vblinv,vblinv2,vbl_cis,vbl0,vbld_inv
33 integer loc_start,loc_end,ithet_start,ithet_end,iphi_start,
34 & iphi_end,iphid_start,iphid_end,ibond_start,ibond_end,
35 & ibondp_start,ibondp_end,ivec_start,ivec_end,iset_start,iset_end,
36 & iturn3_start,iturn3_end,iturn4_start,iturn4_end,iint_start,
37 & iint_end,iphi1_start,iphi1_end
38 common /peptbond/ vbl,vblinv,vblinv2,vbl_cis,vbl0
39 common /indices/ loc_start,loc_end,ithet_start,ithet_end,
40 & iphi_start,iphi_end,iphid_start,iphid_end,ibond_start,ibond_end,
41 & ibondp_start,ibondp_end,ivec_start,ivec_end,iset_start,iset_end,
42 & iturn3_start,iturn3_end,iturn4_start,iturn4_end,iint_start,
43 & iint_end,iphi1_start,iphi1_end
44 C Inverses of the actual virtual bond lengths
45 common /invlen/ vbld_inv(maxres2)