Hi
I'm trying to use antechamber and leap to get .top and .crd files for a
heme molecule.
My input file is a Gaussian output and I'm trying to receive a prep file.
The run is successful however the z-matrix doesn't include any values for
the Fe atom even though I'm using gaff which has an atom type for a Fe atom
(all other output files of antechamber recognize the atom but the .prep
file which is attached).
Any suggestions on this matter?
Thank you very much
Yocheved
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Received on Mon Jan 02 2012 - 03:30:03 PST
