AMBER Archive (2006)

Subject: AMBER: parmchk error

From: Evan Kelly (ebkelly_at_ualberta.ca)
Date: Sat Jun 10 2006 - 22:30:11 CDT

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!

----------------------------------
Evan Kelly
ebkelly_at_ualberta.ca

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