X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2Fgen_rand_conf.F;fp=source%2Funres%2Fsrc-HCD-5D%2Fgen_rand_conf.F;h=ea009b6816f073e47f978c705094a4ac54a19c7a;hb=76d1e8aa14e4e16df2d617758794197cf50ddd57;hp=9f5567d32b6b0bbc31cc0a5a9a23bf50ca5b34e5;hpb=f9783c27de185ff3e1d6e874a37a1a8c4d3c93a3;p=unres.git

diff --git a/source/unres/src-HCD-5D/gen_rand_conf.F b/source/unres/src-HCD-5D/gen_rand_conf.F
index 9f5567d..ea009b6 100644
--- a/source/unres/src-HCD-5D/gen_rand_conf.F
+++ b/source/unres/src-HCD-5D/gen_rand_conf.F
@@ -144,6 +144,7 @@ C Check for SC-SC overlaps.
 cd    print *,'nnt=',nnt,' nct=',nct
       do j=nnt,i-1
         itj=iabs(itype(j))
+        if (itj.eq.ntyp1) cycle
         if (j.lt.i-1 .or. ipot.ne.4) then
           rcomp=sigmaii(iti,itj)
         else 
@@ -798,13 +799,16 @@ c     overlapping residues left, or false otherwise (success)
             fail=.true.
             do while (fail.and.nsi.le.maxsi)
               call gen_side(iti,theta(i+1),alph(i),omeg(i),fail)
+              call sc_coord_rebuild(i)
               nsi=nsi+1
             enddo
             if(fail) goto 999
           endif
         enddo
 
-        call chainbuild_extconf
+c        write (iout,*) "before chaincuild overlap_sc_list: dc0",dc(:,0)
+c        call chainbuild_extconf
+c        write (iout,*) "after chaincuild overlap_sc_list: dc0",dc(:,0)
         call overlap_sc_list(ioverlap,ioverlap_last)
         write (iout,*) 'Overlaping residues ',ioverlap_last,
      &           (ioverlap(j),j=1,ioverlap_last)