Wham po zmianach i dzialajac dla D aminokwasow i BEZ roznic energi ESTR.
[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      &d sc0(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),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,
24      &  maxthetyp1),
25      & ggthet(maxdouble,maxdouble,maxtheterm3,maxthetyp1,maxthetyp1,
26      &  maxthetyp1)
27       common /theta_abinitio/aa0thet,aathet,bbthet,ccthet,ddthet,eethet,
28      &  ffthet,
29      &  ggthet,ithetyp,nthetyp,ntheterm,ntheterm2,ntheterm3,nsingle,
30      &  ndouble,nntheterm
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)