xdrf2pdb-m-mult time t_bath printout

[unres.git] / source / xdrfpdb / src-M / xdrf2pdb-m.F

diff --git a/source/xdrfpdb/src-M/xdrf2pdb-m.F b/source/xdrfpdb/src-M/xdrf2pdb-m.F
index d60a016..24be584 100644 (file)
--- 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