X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Funres.F;h=073c94fc47c9592a0de4f61eab8c1f939b8782f5;hb=82175e15828d8aa5385d50d1a140bc736afc90c3;hp=03576c457a892eee2ea5e3604b0deb1c58eb0db8;hpb=d0d389b657069f2239991163a15a46c42a36e097;p=unres.git

diff --git a/source/unres/src_MD-M/unres.F b/source/unres/src_MD-M/unres.F
index 03576c4..073c94f 100644
--- a/source/unres/src_MD-M/unres.F
+++ b/source/unres/src_MD-M/unres.F
@@ -303,7 +303,7 @@ crc overlap test
         if (refstr) call rms_nac_nnc(rms,frac,frac_nn,co,.true.)
         call briefout(0,etot)
       endif
-      if (outpdb) call pdbout(etot,titel(:32),ipdb)
+      if (outpdb) call pdbout(etot,titel(:50),ipdb)
       if (outmol2) call mol2out(etot,titel(:32))
       return
       end
@@ -341,7 +341,7 @@ c---------------------------------------------------------------------------
       call enerprint(energy(0))
       call intout
       call briefout(0,etot)
-      if (outpdb) call pdbout(etot,titel(:32),ipdb)
+      if (outpdb) call pdbout(etot,titel(:50),ipdb)
       if (outmol2) call mol2out(etot,titel(:32))
       if (refstr) call rms_nac_nnc(rms,frac,frac_nn,co,.true.)
       write (iout,'(a,i3)') 'SUMSL return code:',iretcode
@@ -730,10 +730,12 @@ c      enddo
 c      do j=1,3
 c        dc(j,0)=ran_number(-0.2d0,0.2d0)
 c      enddo
+      if (constr_homology.eq.0) then
       usampl=.true.
       totT=1.d0
       eq_time=0.0d0
       call read_fragments
+      endif
       call chainbuild_cart
       call cartprint
       call intout