out-of-bounds stdfsc from Adam

[unres.git] / source / unres / src_MD-M / unres.F

diff --git a/source/unres/src_MD-M/unres.F b/source/unres/src_MD-M/unres.F
index 03576c4..073c94f 100644 (file)
--- 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