X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Fwham%2Fsrc%2Freadrtns.F;h=bc964f3384233bf05d380795fdb535d078bbc1ec;hb=312c933139ebc2c391d0616b3df48d053e29fdf6;hp=3f0355343b75705d13e653f84ac8f5e7d88755f0;hpb=52fa0196198deec7618362330bbc9d0cec34ffcc;p=unres.git

diff --git a/source/wham/src/readrtns.F b/source/wham/src/readrtns.F
index 3f03553..bc964f3 100644
--- a/source/wham/src/readrtns.F
+++ b/source/wham/src/readrtns.F
@@ -93,10 +93,15 @@
       call readi(controlcard,'CONSTR_DIST',constr_dist,0)
       write (iout,*) "with_dihed_constr ",with_dihed_constr,
      & " CONSTR_DIST",constr_dist
+      call readi(controlcard,'CONSTR_HOMOL',constr_homology,0)
+      write (iout,*) "with_homology_constr ",with_dihed_constr,
+     & " CONSTR_HOMOLOGY",constr_homology
       refstr = index(controlcard,'REFSTR').gt.0
       pdbref = index(controlcard,'PDBREF').gt.0
       dyn_ss=(index(controlcard,'DYN_SS').gt.0)
-c      write (iout,*) "CHUJ Z PIZDA", dyn_ss
+C /06/28/2013 Adasko: dyn_ss is keyword allowing to break and create bond
+C disulfide bond. Note that in conterary to dynamics this in
+C CONTROLCARD. The bond are read in molread_zs.F 
       call flush(iout)
       return
       end
@@ -142,6 +147,11 @@ C
       endif
       replica(iparm)=index(controlcard,"REPLICA").gt.0
       umbrella(iparm)=index(controlcard,"UMBRELLA").gt.0
+      if (umbrella(iparm) .and. homol_nset.gt.1) then
+        umbrella(iparm) = .false.
+        write (iout,*) 
+     & "Replica in homology restraints weights UMBRELLA ignored,",iparm
+      endif
       read_iset(iparm)=index(controlcard,"READ_ISET").gt.0
       write (iout,*) "nQ",nQ," nT",nT_h(iparm)," replica ",
      &  replica(iparm)," umbrella ",umbrella(iparm),
@@ -184,6 +194,15 @@ C
         call flush(iout)
       enddo
 
+      write (iout,*) "HOMOL_NSET",homol_nset
+      if (homol_nset.gt.1) then
+        write (iout,*) "HOMOL_NSET: nT_h",nT_h(iparm)
+        do ib=1,nT_h(iparm)
+          nR(ib,iparm)=homol_nset
+          write (iout,*) "iparm",iparm," ib",ib," nR",nR(ib,iparm)
+        enddo
+      endif
+
       enddo
 
       if (hamil_rep) then