X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Finclude_unres%2FCOMMON.LOCAL;fp=source%2Fwham%2Fsrc-M%2Finclude_unres%2FCOMMON.LOCAL;h=15947106e515308f417960230b744e3babccc2ed;hb=5b0e27e99ac1e61b8b155f3cc6351fac58c391ca;hp=1d0f3aaf1a47de4bb96c0b3915f398fd196a5888;hpb=664d495e70d14eed4e97f7b8efd2e107dee2fd4e;p=unres.git

diff --git a/source/wham/src-M/include_unres/COMMON.LOCAL b/source/wham/src-M/include_unres/COMMON.LOCAL
index 1d0f3aa..1594710 100644
--- a/source/wham/src-M/include_unres/COMMON.LOCAL
+++ b/source/wham/src-M/include_unres/COMMON.LOCAL
@@ -1,12 +1,16 @@
       double precision a0thet,athet,bthet,polthet,gthet,theta0,sig0,
-     & sigc0,dsc,dsc_inv,bsc,censc,gaussc,dsc0,vbl,vblinv,vblinv2,
-     & vbl_cis,vbl0,vbld_inv
-      integer nlob,loc_start,loc_end,ithet_start,ithet_end,
-     & iphi_start,iphi_end
+     &  sigc0,dsc,dsc_inv,bsc,censc,gaussc,dsc0
+      integer nlob
 C Parameters of the virtual-bond-angle probability distribution
-      common /thetas/ a0thet(ntyp),athet(2,ntyp),bthet(2,ntyp),
-     &  polthet(0:3,ntyp),gthet(3,ntyp),theta0(ntyp),sig0(ntyp),
-     &  sigc0(ntyp)
+      common /thetas/ a0thet(-ntyp:ntyp),athet(2,-ntyp:ntyp,-1:1,-1:1),
+     &  bthet(2,-ntyp:ntyp,-1:1,-1:1),polthet(0:3,-ntyp:ntyp),
+     & gthet(3,-ntyp:ntyp),theta0(-ntyp:ntyp),sig0(-ntyp:ntyp),
+     &  sigc0(-ntyp:ntyp)
+C Parameters of the side-chain probability distribution
+      common /sclocal/ dsc(ntyp1),dsc_inv(ntyp1),bsc(maxlob,ntyp),
+     &  censc(3,maxlob,-ntyp:ntyp),gaussc(3,3,maxlob,-ntyp:ntyp),
+     &d sc0(ntyp1),
+     &    nlob(ntyp1)
 C Parameters of ab initio-derived potential of virtual-bond-angle bending
       integer nthetyp,ntheterm,ntheterm2,ntheterm3,nsingle,ndouble,
      & ithetyp(ntyp1),nntheterm
@@ -24,13 +28,18 @@ C Parameters of ab initio-derived potential of virtual-bond-angle bending
      &  ffthet,
      &  ggthet,ithetyp,nthetyp,ntheterm,ntheterm2,ntheterm3,nsingle,
      &  ndouble,nntheterm
-C Parameters of the side-chain probability distribution
-      common /sclocal/ dsc(ntyp1),dsc_inv(ntyp1),bsc(maxlob,ntyp),
-     &  censc(3,maxlob,ntyp),gaussc(3,3,maxlob,ntyp),dsc0(ntyp1),
-     &    nlob(ntyp1)
 C Virtual-bond lenghts
+      double precision vbl,vblinv,vblinv2,vbl_cis,vbl0,vbld_inv
+      integer loc_start,loc_end,ithet_start,ithet_end,iphi_start,
+     & iphi_end,iphid_start,iphid_end,ibond_start,ibond_end,
+     & ibondp_start,ibondp_end,ivec_start,ivec_end,iset_start,iset_end,
+     & iturn3_start,iturn3_end,iturn4_start,iturn4_end,iint_start,
+     & iint_end,iphi1_start,iphi1_end,itau_start,itau_end
       common /peptbond/ vbl,vblinv,vblinv2,vbl_cis,vbl0
       common /indices/ loc_start,loc_end,ithet_start,ithet_end,
-     &                 iphi_start,iphi_end
+     & iphi_start,iphi_end,iphid_start,iphid_end,ibond_start,ibond_end,
+     & ibondp_start,ibondp_end,ivec_start,ivec_end,iset_start,iset_end,
+     & iturn3_start,iturn3_end,iturn4_start,iturn4_end,iint_start,
+     & iint_end,iphi1_start,iphi1_end,itau_start,itau_end
 C Inverses of the actual virtual bond lengths
       common /invlen/ vbld_inv(maxres2)