First off, thanks for the responses to my last question. They really helped me out. Now I have a new problem, however. After starting the calculation given down below I received teh following error message:
wrong nr removed

Could anyone tell me what this means and how to stop it from occuring again?

Thanks
J. van Gestel

input file:
   ATOMS ZMATRIX
    XX 0 0 0 0 0 0
    XX 1 0 0 2 0 0
    O 2 1 0 2.098660 109.993672 0
    O 2 1 3 2.098660 109.993672 -91.692397
    O 2 1 3 2.098660 109.993672 88.307603
    O 2 1 3 2.098660 109.993672 180
    H 5 2 1 0.992111 98.927425 2.818886
    H 4 2 1 th 98.927425 2.818886
    Si 2 1 3 2.551321 127.163042 42.170691
    Al 2 1 9 2.772289 116.808404 -85.776345
    Al 2 1 9 2.772289 116.808404 94.223655
    Si 2 1 9 2.551321 127.163042 180
    H 9 2 1 1.0 137.163042 -178.819172
    H 9 13 1 1.0 118.745352 -176.000
    H 10 2 1 1.0 137.163042 -178.819172
    H 10 15 1 1.0 118.745352 -176.000
    H 11 2 1 1.0 137.163042 -178.819172
    H 11 17 1 1.0 118.745352 -176.000
    H 12 2 1 1.0 137.163042 -178.819172
    H 12 19 1 1.0 118.745352 -176.000
    Pd 2 3 1 1.195211 109.993672 0
   END
    GEOVAR
    th 0.75 2.75
    END

<<snip>>

   SYMMETRY NOSYM
   GEOMETRY
     lineartransit 10
     iterations 50
     converge grad=3e-2, rad=3e-2, angle=2
    END
    INTEGRATION 4.0
   ENDINPUT
Received on 1999-04-14 11:23:27