Hi Everyone,
I have used antechamber to set up a prepi file for an organic ligand
I want to study. The ligand has 117 atoms. There are two missing
parameters, and so I tried to run parmchk to create an frcmod file.
However, I am met with many repetitions of the following:
Info: the atom number exceeds the MAXATOM, reallocate memory
automatically
which doesn't cause much concern, but then the following error occurs
many times:
Unrecognized atomic name , exit
which is followed by a segmentation fault. Can anybody suggest what
the problem is?
Thanks!
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Evan Kelly
ebkelly.ualberta.ca
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Received on Sun Jun 11 2006 - 06:07:22 PDT
