AMBER Archive (2006)

Subject: Re: AMBER: (Another) Question about using antechamber with G03

From: David A. Case (case_at_scripps.edu)
Date: Tue Aug 15 2006 - 18:09:56 CDT

On Tue, Aug 15, 2006, Gustavo Seabra wrote:

> However, antechamber is having problems
> generating the ANTECHAMBER.ESP file: it is NOT generated, and it does not
> give any error messages at this point,

Certainly, error reporting in antechamber could be enhanced. If you have a
chance, look at the code to see if you could trap this failure at a better
spot.

I suspect that the underlying problem is that the gout file doesn't have all
the correct information in it. If so, fixing the code to get the message to
the user in a more understandable format would be a help.

...regards...dac

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