On Fri, Jul 09, 2010, Guoxiong Su wrote:
>
> I am a new amber10 user. I am trying to use antechamber to get the parameter
> file for my bioorganic molecule. However, I got this error message as below:
>
> Running: /home/user/amber10/bin/mopac.sh
> Error: unable to find mopac charges in mopac.out
>
> When I checked mopac.out, it gave the error message as:
> **** MAX. NUMBER OF ATOMS ALLOWED: 200
>
> How could I modify the max number of atoms to 250 or just add 10 more atoms?
You could try to patch the mopac source, but I'd recommend downloading
AmberTools1.4 and running antechamber from that distribution.
....dac
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Received on Fri Jul 09 2010 - 14:00:03 PDT
