AMBER Archive (2008)

Subject: Re: AMBER: question on antechamber: jaguar ouput

From: Marcelo Puiatti (marcelo.puiatti_at_gmail.com)
Date: Tue Mar 11 2008 - 13:35:10 CDT

Dear Wei

I used to work with Jaguar, and I think that Jaguar has the option for
gaussian output, but I don't know if this could work. Another solution
can be saving the output files in an old jaguar format.
Good luck

Marcelo

On 3/11/08, wei zhang <zhangwee_at_yahoo.com> wrote:
> Dear all:
>
> I'm trying to build topology and param files for a
> lipid molecular with antechamber. instead of the
> commonly used gaussian/gamess, we have only jaguar
> available. althought there is a option for juguar
> Output in antechamber description, when apply jaguar
> output for resp charge fitting, it failed. ( error :
> Gaussian output is required")
>
> Could anybody share some experience with charge
> fitting using jaguar?
>
> Any csuggestion would be highly appreaciated!
>
>
> Best regards,
>
>
> Wei Zhang
>
>
>
>
>
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