X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2FCOMMON.LOCAL;h=5a00bb23389f4c2b78adf68e888723cf14b1201b;hb=8edf1bfce4d6b0586a4bde13101f96f48377a5ce;hp=a248d99294c73f052d2ec89b41c6b3fa9a567d93;hpb=2d66111aef48a7db8a87b9f9b3882d640ea53435;p=unres.git

diff --git a/source/cluster/wham/src/COMMON.LOCAL b/source/cluster/wham/src/COMMON.LOCAL
index a248d99..5a00bb2 100644
--- a/source/cluster/wham/src/COMMON.LOCAL
+++ b/source/cluster/wham/src/COMMON.LOCAL
@@ -4,9 +4,10 @@
       integer nlob,loc_start,loc_end,ithet_start,ithet_end,
      & iphi_start,iphi_end,itau_start,itau_end
 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 ab initio-derived potential of virtual-bond-angle bending
       integer nthetyp,ntheterm,ntheterm2,ntheterm3,nsingle,ndouble,
      & ithetyp(ntyp1),nntheterm
@@ -26,7 +27,8 @@ C Parameters of ab initio-derived potential of virtual-bond-angle bending
      &  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),
+     &  censc(3,maxlob,-ntyp:ntyp),gaussc(3,3,maxlob,-ntyp:ntyp),
+     &    dsc0(ntyp1),
      &    nlob(ntyp1)
 C Virtual-bond lenghts
       common /peptbond/ vbl,vblinv,vblinv2,vbl_cis,vbl0