X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fxdrfpdb%2Fsrc-M%2Fxdrf2pdb-m.F;h=24be584fa1bf23894e75624bcac9657cc0231813;hb=0a0b19df2e0f4d0081a0df1b16ff63950010daa5;hp=d60a0168bec1d207a6d96db9977c733902ac9d3b;hpb=17f6ba1f1fcc75e0823f1cfb16fa99c11f606d6d;p=unres.git

diff --git a/source/xdrfpdb/src-M/xdrf2pdb-m.F b/source/xdrfpdb/src-M/xdrf2pdb-m.F
index d60a016..24be584 100644
--- a/source/xdrfpdb/src-M/xdrf2pdb-m.F
+++ b/source/xdrfpdb/src-M/xdrf2pdb-m.F
@@ -138,7 +138,8 @@ c       write (*,'(8f10.5)') ((coord(k,j),k=1,3),j=1,isize)
            enddo
          enddo
          etot=potE
-         write (tytul,'(a,i6)') "Structure",kk
+         write (tytul,'(a1,i6,a8,f6.1,a6,f10.1)') "#",kk," t_bath ",
+     &             t_bath, " time ",time
          call pdbout(etot,tytul,9)
        endif
       enddo