X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc_MD%2Fgen_rand_conf.F;h=ad1269a0181635d1d9a9998ab012eb4f08b1c0b9;hb=27d0898cd1f4b898e6b044f96d7f28615e23fadb;hp=6cc31ba6e4c2cc5e264bccb32e90a9d575afb602;hpb=a45ce81aae2c857c30b821e39e45a7a08356de4d;p=unres.git

diff --git a/source/unres/src_MD/gen_rand_conf.F b/source/unres/src_MD/gen_rand_conf.F
index 6cc31ba..ad1269a 100644
--- a/source/unres/src_MD/gen_rand_conf.F
+++ b/source/unres/src_MD/gen_rand_conf.F
@@ -838,7 +838,8 @@ c     &           (ioverlap(j),j=1,ioverlap_last)
 C Check for SC-SC overlaps and mark residues
 c      print *,'>>overlap_sc nnt=',nnt,' nct=',nct
       ind=0
-      do i=iatsc_s,iatsc_e
+c      do i=iatsc_s,iatsc_e
+      do i=nnt,nct-1
         itypi=itype(i)
         itypi1=itype(i+1)
         xi=c(1,nres+i)
@@ -849,8 +850,9 @@ c      print *,'>>overlap_sc nnt=',nnt,' nct=',nct
         dzi=dc_norm(3,nres+i)
         dsci_inv=dsc_inv(itypi)
 c
-       do iint=1,nint_gr(i)
-         do j=istart(i,iint),iend(i,iint)
+c       do iint=1,nint_gr(i)
+c         do j=istart(i,iint),iend(i,iint)
+          do j=i+2,nct
             ind=ind+1
             itypj=itype(j)
             dscj_inv=dsc_inv(itypj)
@@ -904,7 +906,7 @@ cd     &     rcomp,1.0/rij,rij_shift
           enddo 
          endif
         enddo
-       enddo
+c       enddo
       enddo
       return
       end