837a7a3d2c91c4517fc25922b842e58caec62b6e
[unres.git] / source / unres / src_MD / 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),athet(2,ntyp),bthet(2,ntyp),
6      &  polthet(0:3,ntyp),gthet(3,ntyp),theta0(ntyp),sig0(ntyp),
7      &  sigc0(ntyp)
8 C Parameters of the side-chain probability distribution
9       common /sclocal/ dsc(ntyp1),dsc_inv(ntyp1),bsc(maxlob,ntyp),
10      &  censc(3,maxlob,ntyp),gaussc(3,3,maxlob,ntyp),dsc0(ntyp1),
11      &    nlob(ntyp1)
12 C Parameters of ab initio-derived potential of virtual-bond-angle bending
13       integer nthetyp,ntheterm,ntheterm2,ntheterm3,nsingle,ndouble,
14      & ithetyp(ntyp1),nntheterm
15       double precision aa0thet(maxthetyp1,maxthetyp1,maxthetyp1),
16      & aathet(maxtheterm,maxthetyp1,maxthetyp1,maxthetyp1),
17      & bbthet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
18      & ccthet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
19      & ddthet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
20      & eethet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
21      & ffthet(maxdouble,maxdouble,maxtheterm3,maxthetyp1,maxthetyp1,
22      &  maxthetyp1),
23      & ggthet(maxdouble,maxdouble,maxtheterm3,maxthetyp1,maxthetyp1,
24      &  maxthetyp1)
25       common /theta_abinitio/aa0thet,aathet,bbthet,ccthet,ddthet,eethet,
26      &  ffthet,
27      &  ggthet,ithetyp,nthetyp,ntheterm,ntheterm2,ntheterm3,nsingle,
28      &  ndouble,nntheterm
29 C Virtual-bond lenghts
30       double precision vbl,vblinv,vblinv2,vbl_cis,vbl0,vbld_inv
31       integer loc_start,loc_end,ithet_start,ithet_end,iphi_start,
32      & iphi_end,iphid_start,iphid_end,ibond_start,ibond_end,
33      & ibondp_start,ibondp_end,ivec_start,ivec_end,iset_start,iset_end,
34      & iturn3_start,iturn3_end,iturn4_start,iturn4_end,iint_start,
35      & iint_end,iphi1_start,iphi1_end,
36      & ibond_displ(0:max_fg_procs-1),ibond_count(0:max_fg_procs-1),
37      & ithet_displ(0:max_fg_procs-1),ithet_count(0:max_fg_procs-1),
38      & iphi_displ(0:max_fg_procs-1),iphi_count(0:max_fg_procs-1),
39      & iphi1_displ(0:max_fg_procs-1),iphi1_count(0:max_fg_procs-1),
40      & ivec_displ(0:max_fg_procs-1),ivec_count(0:max_fg_procs-1),
41      & iset_displ(0:max_fg_procs-1),iset_count(0:max_fg_procs-1),
42      & iint_count(0:max_fg_procs-1),iint_displ(0:max_fg_procs-1)
43       common /peptbond/ vbl,vblinv,vblinv2,vbl_cis,vbl0
44       common /indices/ loc_start,loc_end,ithet_start,ithet_end,
45      & iphi_start,iphi_end,iphid_start,iphid_end,ibond_start,ibond_end,
46      & ibondp_start,ibondp_end,ivec_start,ivec_end,iset_start,iset_end,
47      & iturn3_start,iturn3_end,iturn4_start,iturn4_end,iint_start,
48      & iint_end,iphi1_start,iphi1_end,iint_count,iint_displ,ivec_displ,
49      & ivec_count,iset_displ,
50      & iset_count,ibond_displ,ibond_count,ithet_displ,ithet_count,
51      & iphi_displ,iphi_count,iphi1_displ,iphi1_count
52 C Inverses of the actual virtual bond lengths
53       common /invlen/ vbld_inv(maxres2)