Index: motion_utils.F
===================================================================
--- motion_utils.F	(revision 14218)
+++ motion_utils.F	(working copy)
@@ -141,18 +141,18 @@
        IF (iw>0) THEN
           WRITE(iw,'(T2,A,3F12.6)')"ROT| Rotational Analysis Info "
           WRITE(iw,'(T2,A)')"ROT| Principal axes and moments of inertia in atomic units:"
-          WRITE(iw,'(T2,A,T27,3(3X,I9,6X))')"ROT|",1,2,3
-          WRITE(iw,'(T2,A,T27,3(3X,E15.9))')"ROT| EIGENVALUES",Ip_eigval
-          WRITE(iw,'(T2,A,T27,3(3X,F15.9))')"ROT|      X",Ip(1,1),Ip(1,2),Ip(1,3)
-          WRITE(iw,'(T2,A,T27,3(3X,F15.9))')"ROT|      Y",Ip(2,1),Ip(2,2),Ip(2,3)
-          WRITE(iw,'(T2,A,T27,3(3X,F15.9))')"ROT|      Z",Ip(3,1),Ip(3,2),Ip(3,3)
+          WRITE(iw,'(T2,A,T32,3(3X,I6,6X))')"ROT|",1,2,3
+          WRITE(iw,'(T2,A,T30,3(3X,F12.6))')"ROT| EIGENVALUES",Ip_eigval
+          WRITE(iw,'(T2,A,T30,3(3X,F12.6))')"ROT|      X",Ip(1,1),Ip(1,2),Ip(1,3)
+          WRITE(iw,'(T2,A,T30,3(3X,F12.6))')"ROT|      Y",Ip(2,1),Ip(2,2),Ip(2,3)
+          WRITE(iw,'(T2,A,T30,3(3X,F12.6))')"ROT|      Z",Ip(3,1),Ip(3,2),Ip(3,3)
        END IF
        CALL cp_print_key_finished_output(iw,logger,print_section,"ROTATIONAL_INFO",error=error)
        iw=cp_print_key_unit_nr(logger,print_section,"ROTATIONAL_INFO/COORDINATES",extension=".vibLog",error=error)
        IF (iw>0) THEN
           WRITE(iw,'(/,T2,A)')"ROT| Standard Molecule Orientation - ANGSTROM "
           DO iparticle = 1, natoms
-             WRITE(iw,'(T2,"ROT|",T20,A,T27,3(3X,F15.9))')&
+             WRITE(iw,'(T2,"ROT|",T20,A,T30,3(3X,F12.6))')&
                   TRIM(particles(iparticle)%atomic_kind%name),&
                   MATMUL(particles(iparticle)%r,Ip)*angstrom
           ,END DO
@@ -292,7 +292,9 @@
     CHARACTER(LEN=4)                         :: id_dcd
     CHARACTER(LEN=default_string_length) :: id_label, id_wpc, my_act, my_ext, &
       my_form, my_middle, my_pk_name, my_pos, remark1, remark2, section_ref, &
-      title, unit_str
+      unit_str
+    CHARACTER(LEN=3*default_string_length)   :: title !Added by Csilla
+    CHARACTER(LEN=4)                         :: property !Added by Csilla
     INTEGER                                  :: handle, i, ii, iskip, istat, &
                                                 nat, outformat, traj_unit
     INTEGER, POINTER                         :: force_mixing_indices(:), &
@@ -325,16 +327,20 @@
     IF (PRESENT(act))          my_act     = act
     IF (PRESENT(pk_name))      my_pk_name = pk_name
 
+    property = '' !Added by Csilla
     SELECT CASE(TRIM(my_pk_name))
     CASE("TRAJECTORY","SHELL_TRAJECTORY","CORE_TRAJECTORY")
        id_dcd = "CORD"
        id_wpc = "POS"
+       property = 'pos' !Added by Csilla
     CASE("VELOCITIES","SHELL_VELOCITIES","CORE_VELOCITIES")
        id_dcd = "VEL "
        id_wpc = "VEL"
+       property = 'velo' !Added by Csilla
     CASE("FORCES","SHELL_FORCES","CORE_FORCES")
        id_dcd = "FRC "
        id_wpc = "FORCE"
+       property = 'frc' !Added by Csilla
     CASE("FORCE_MIXING_LABELS")
        id_dcd = "FML "
        id_wpc = "FORCE_MIXING_LABELS"
@@ -393,8 +399,14 @@
           IF (PRESENT(extended_xmol_title)) my_extended_xmol_title = extended_xmol_title
           ! This information can be digested by Molden
           IF (my_extended_xmol_title) THEN
-             WRITE (UNIT=title,FMT="(A,I8,A,F12.3,A,F20.10)")&
-              " i = ",it,", time = ",time,", E = ",etot
+            
+            WRITE (UNIT=title,FMT="(A,I8,A,F12.3,A,F20.10,A,9F13.8,A)")&
+!              " i = ",it,", time = ",time,", E = ",etot
+              '  i="',it,' " time="',time,' " E="',etot, &
+              '" Lattice="',cell%hmat(1,1)*angstrom,cell%hmat(2,1)*angstrom,cell%hmat(3,1)*angstrom, &
+                            cell%hmat(1,2)*angstrom,cell%hmat(2,2)*angstrom,cell%hmat(3,2)*angstrom, &
+                            cell%hmat(1,3)*angstrom,cell%hmat(2,3)*angstrom,cell%hmat(3,3)*angstrom, &
+               '" Properties=species:S:1:'//trim(property)//':R:3'
           ELSE
              WRITE (UNIT=title,FMT="(A,I8,A,F20.10)")" i = ",it,", E = ",etot
           END IF
