update

[unres.git] / source / cluster / wham / src-M / COMMON.CLUSTER

diff --git a/source/cluster/wham/src-M/COMMON.CLUSTER b/source/cluster/wham/src-M/COMMON.CLUSTER
index 4477d19..9f881c4 100644 (file)
--- a/source/cluster/wham/src-M/COMMON.CLUSTER
+++ b/source/cluster/wham/src-M/COMMON.CLUSTER
@@ -2,16 +2,23 @@
       real*8 rcutoff,ecut
       double precision totfree_gr
       real*4 diss,allcart
-      double precision enetb,entfac,totfree,energy,rmstb
+      double precision enetb,entfac,totfree,energy,rmstb,gdt_ts_tb,
+     & gdt_ha_tb,tmscore_tb
       integer ncut,ngr,licz,nconf,iass,icc,mult,list_conf,
-     &  nss_all,ihpb_all,jhpb_all,iass_tot,iscore,nprop
+     &  nss_all,ihpb_all,jhpb_all,iass_tot,iscore,nprop,nclust
+      real*8 rmsave,rms_closest,gdt_ts_ave,gdt_ts_closest,
+     &  gdt_ha_ave,gdt_ha_closest,tmscore_ave,tmscore_closest
       common /clu/ diss(maxdist),energy(0:maxconf),
-     &  enetb(max_ene,maxstr_proc),ecut,
+     &  enetb(max_ene,maxconf),ecut,
      &  entfac(maxconf),totfree(0:maxconf),totfree_gr(maxgr),
-     &  rcutoff(max_cut+1),ncut,min_var,tree,plot_tree,lgrp
+     &  rcutoff(max_cut+1),ncut,nclust,min_var,tree,plot_tree,lgrp
       common /clu1/ ngr,licz(maxgr),nconf(maxgr,maxingr),iass(maxgr),
      &  iass_tot(maxgr,max_cut),list_conf(maxconf)
-      common /alles/ allcart(3,maxres2,maxstr_proc),rmstb(maxconf),
+      common /alles/ allcart(3,maxres2,maxconf),rmstb(maxconf),
+     & gdt_ts_tb(maxconf),gdt_ha_tb(maxconf),tmscore_tb(maxconf),
+     & rmsave(maxgr),rms_closest(maxgr),gdt_ts_ave(maxgr),
+     & gdt_ts_closest(maxgr),gdt_ha_ave(maxgr),gdt_ha_closest(maxgr),
+     & tmscore_ave(maxgr),tmscore_closest(maxgr),
      & icc(maxconf),
-     & mult(maxres),nss_all(maxstr_proc),ihpb_all(maxss,maxstr_proc),
-     & jhpb_all(maxss,maxstr_proc),iscore(maxconf),nprop
+     & mult(maxres),nss_all(maxconf),ihpb_all(maxss,maxconf),
+     & jhpb_all(maxss,maxconf),iscore(maxconf),nprop