X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCOMMON.LOCAL;h=f8b5ab31873dfa9b7bbde447b5bab56b0ffd239e;hb=24267f5c78a1b1b5b8a5eaec6ec89a085630502e;hp=837a7a3d2c91c4517fc25922b842e58caec62b6e;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git

diff --git a/source/unres/src_MD/COMMON.LOCAL b/source/unres/src_MD/COMMON.LOCAL
index 837a7a3..f8b5ab3 100644
--- a/source/unres/src_MD/COMMON.LOCAL
+++ b/source/unres/src_MD/COMMON.LOCAL
@@ -2,12 +2,14 @@
      &  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),gaussc(3,3,maxlob,ntyp),dsc0(ntyp1),
+     &  censc(3,maxlob,-ntyp:ntyp),gaussc(3,3,maxlob,-ntyp:ntyp),
+     &  dsc0(ntyp1),
      &    nlob(ntyp1)
 C Parameters of ab initio-derived potential of virtual-bond-angle bending
       integer nthetyp,ntheterm,ntheterm2,ntheterm3,nsingle,ndouble,
@@ -29,7 +31,8 @@ C Parameters of ab initio-derived potential of virtual-bond-angle bending
 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,
+     & iphi_end,iphid_start,iphid_end,itau_start,itau_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,
@@ -42,7 +45,8 @@ C Virtual-bond lenghts
      & iint_count(0:max_fg_procs-1),iint_displ(0:max_fg_procs-1)
       common /peptbond/ vbl,vblinv,vblinv2,vbl_cis,vbl0
       common /indices/ loc_start,loc_end,ithet_start,ithet_end,
-     & iphi_start,iphi_end,iphid_start,iphid_end,ibond_start,ibond_end,
+     & iphi_start,iphi_end,iphid_start,iphid_end,itau_start,itau_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,iint_count,iint_displ,ivec_displ,