Re: [AMBER] problem with antechamber and ESP

From: David A Case <>
Date: Thu, 11 Oct 2012 09:57:25 -0400

On Thu, Oct 11, 2012, Rebeca García Fandiño wrote:
> When I run espgen command,
> $AMBERHOME/exe/espgen -i SP_out -o cargas.esp
> I get the following error.
> Info: the number of the ESP exceeds the MAXESP(20000),extend the size
> and reallocate the memory automatically

This is not an error, just an informational message.

> error: espgen cannot deal with Gaussian 09 log file, please generate
> Gaussian 09 ESP file using iop(6/50=1) and rerun espgen)

What happens when you do what the message asks you to do?

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Received on Thu Oct 11 2012 - 07:00:05 PDT
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