Hi Ross
I did try using the CHARMM crd file instead of its pdb file and this seems to work so far. I am no longer get the Fortran error. I am still not sure why the pdb file built by CHARMM was giving a problem.
Anyway, thanks for your idea of using CHARMM crd file instead.
Steve
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Received on Thu May 26 2011 - 11:30:03 PDT