X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fio_database.F90;h=41deaffcc4b40a41ef078dba17f9248d15b7fff5;hb=0f5304c0d44e3ec4d6538de7d274c4b1a1930049;hp=c28ad787e5c7a0f48d41fc4298078a83fa47141e;hpb=f458de69c692cc132fdb9adfa1a130fc33b35782;p=unres4.git

diff --git a/source/wham/io_database.F90 b/source/wham/io_database.F90
index c28ad78..41deaff 100644
--- a/source/wham/io_database.F90
+++ b/source/wham/io_database.F90
@@ -543,6 +543,7 @@ write(iout,*) "end of read database"
 #else
       print *,"before xdrf3dcoord"
       call xdrf3dfcoord(ixdrf, xoord, itmp, prec, iret)
+      print *,"after xdrf3dcoord", iret
 #endif
 #ifdef DEBUG
       write (iout,'(10f8.3)') ((xoord(j,i),j=1,3),i=1,2*nres+2)
@@ -1501,6 +1502,11 @@ write(iout,*) "end of read database"
         endif
       enddo
       do j=3,nres
+        mnum=molnum(j)
+        itj=itype(j,mnum)
+        if (itype(j,mnum).eq.ntyp1_molec(mnum)) cycle
+        if (itype(j-1,mnum).eq.ntyp1_molec(mnum)) cycle
+        if (itype(j-2,mnum).eq.ntyp1_molec(mnum)) cycle
         if (theta(j).le.0.0d0) then
           if (iprint.gt.0) &
           write (iout,*) "Zero theta angle(s) in conformation",ii