X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2Finclude_unres%2FCOMMON.LOCAL;fp=source%2Fcluster%2Fwham%2Fsrc%2Finclude_unres%2FCOMMON.LOCAL;h=1d0f3aaf1a47de4bb96c0b3915f398fd196a5888;hb=0a11a2c4ccee14ed99ae44f2565b270ba8d4bbb6;hp=0000000000000000000000000000000000000000;hpb=5eb407964903815242c59de10960f42761139e10;p=unres.git

diff --git a/source/cluster/wham/src/include_unres/COMMON.LOCAL b/source/cluster/wham/src/include_unres/COMMON.LOCAL
new file mode 100644
index 0000000..1d0f3aa
--- /dev/null
+++ b/source/cluster/wham/src/include_unres/COMMON.LOCAL
@@ -0,0 +1,36 @@
+      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
+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)
+C Parameters of ab initio-derived potential of virtual-bond-angle bending
+      integer nthetyp,ntheterm,ntheterm2,ntheterm3,nsingle,ndouble,
+     & ithetyp(ntyp1),nntheterm
+      double precision aa0thet(maxthetyp1,maxthetyp1,maxthetyp1),
+     & aathet(maxtheterm,maxthetyp1,maxthetyp1,maxthetyp1),
+     & bbthet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
+     & ccthet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
+     & ddthet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
+     & eethet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
+     & ffthet(maxdouble,maxdouble,maxtheterm3,maxthetyp1,maxthetyp1,
+     &  maxthetyp1),
+     & ggthet(maxdouble,maxdouble,maxtheterm3,maxthetyp1,maxthetyp1,
+     &  maxthetyp1)
+      common /theta_abinitio/aa0thet,aathet,bbthet,ccthet,ddthet,eethet,
+     &  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
+      common /peptbond/ vbl,vblinv,vblinv2,vbl_cis,vbl0
+      common /indices/ loc_start,loc_end,ithet_start,ithet_end,
+     &                 iphi_start,iphi_end
+C Inverses of the actual virtual bond lengths
+      common /invlen/ vbld_inv(maxres2)