1d0f3aaf1a47de4bb96c0b3915f398fd196a5888
[unres.git] / source / cluster / wham / src / include_unres / COMMON.LOCAL
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
6 C Parameters of the virtual-bond-angle probability distribution
7       common /thetas/ a0thet(ntyp),athet(2,ntyp),bthet(2,ntyp),
8      &  polthet(0:3,ntyp),gthet(3,ntyp),theta0(ntyp),sig0(ntyp),
9      &  sigc0(ntyp)
10 C Parameters of ab initio-derived potential of virtual-bond-angle bending
11       integer nthetyp,ntheterm,ntheterm2,ntheterm3,nsingle,ndouble,
12      & ithetyp(ntyp1),nntheterm
13       double precision aa0thet(maxthetyp1,maxthetyp1,maxthetyp1),
14      & aathet(maxtheterm,maxthetyp1,maxthetyp1,maxthetyp1),
15      & bbthet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
16      & ccthet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
17      & ddthet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
18      & eethet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
19      & ffthet(maxdouble,maxdouble,maxtheterm3,maxthetyp1,maxthetyp1,
20      &  maxthetyp1),
21      & ggthet(maxdouble,maxdouble,maxtheterm3,maxthetyp1,maxthetyp1,
22      &  maxthetyp1)
23       common /theta_abinitio/aa0thet,aathet,bbthet,ccthet,ddthet,eethet,
24      &  ffthet,
25      &  ggthet,ithetyp,nthetyp,ntheterm,ntheterm2,ntheterm3,nsingle,
26      &  ndouble,nntheterm
27 C Parameters of the side-chain probability distribution
28       common /sclocal/ dsc(ntyp1),dsc_inv(ntyp1),bsc(maxlob,ntyp),
29      &  censc(3,maxlob,ntyp),gaussc(3,3,maxlob,ntyp),dsc0(ntyp1),
30      &    nlob(ntyp1)
31 C Virtual-bond lenghts
32       common /peptbond/ vbl,vblinv,vblinv2,vbl_cis,vbl0
33       common /indices/ loc_start,loc_end,ithet_start,ithet_end,
34      &                 iphi_start,iphi_end
35 C Inverses of the actual virtual bond lengths
36       common /invlen/ vbld_inv(maxres2)