AMBER Archive (2005)

Subject: Re: AMBER: creating a resp input file without Gaussian.

From: Kenley Barrett (kenley.barrett_at_gmail.com)
Date: Mon Sep 19 2005 - 14:08:25 CDT

I don't have any experience using resp; however, in my lab we use a
work-around involving GAMESS, Jaguar, and some scripts written by a grad
student in my lab to produce library files for unusual residues. If this is
the sort of thing that would suit your purposes, let me know and I can
e-mail you the scripts and instructions.

On 9/19/05, Nitin Bhardwaj <nbhardwaj_at_gmail.com> wrote:
>
> Hi,
> I somehow dont have access to gaussian for creating resp input
> files. The manual says that "If you don't use Gaussian, you can still
> run respgen to automatically create the input files needed for resp."
>
> I tried to figure it out but I cound not find out a way to generate a
> resp input file from a PDB file without using gaussian. I know that
> generating an "ac" file is one of the intermediate steps but I could
> not put pieces together.
>
> Any help would be appriciated.
> Thanks a ton.
> Nitin
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