READ_HOMOL_FRAG wham
[unres.git] / source / wham / src-M / include_unres / COMMON.LOCAL
1       double precision a0thet,athet,bthet,polthet,gthet,theta0,sig0,
2      &  sigc0,dsc,dsc_inv,bsc,censc,gaussc,dsc0
3       integer nlob
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),
8      &  sigc0(-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),
12      &dsc0(ntyp1),
13      &    nlob(ntyp1)
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,
34      &  ndouble,nntheterm
35
36         double precision aa0thet,aathet,bbthet,ccthet,ddthet,eethet,
37      &  ffthet,
38      &  ggthet
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)