I don't know where the post has gone, but the mdgx package is pretty useful
for interfacing with ORCA via files and organizing calculations for REsP
fits. The fancier IPolQ form of this is detailed here:
http://ambermd.org/tutorials/advanced/tutorial28/index.php
<
http://ambermd.org/tutorials/advanced/tutorial28/index.php>Standard REsP
on conformations in vacuum can be done with simple modifications of the
&fitq namelist inputs.
Dave
On Thu, Jul 23, 2020 at 4:38 PM Lucas Bandeira <bandeiralucas97.gmail.com>
wrote:
> Dear AMBER Community,
>
> So if it is no the right place to make this question, but I was trying to
> access a post written by Carlos Simmerling of "Using Orca to develop RESP
> Charges"(
>
> http://laufercenter.stonybrook.edu/simmerling/Using_ORCA_to_develop_charge_parameters
> ).
> However, I cannot access the link anymore. When I try I have the error
> message:
>
> Not Found
>
> The requested URL /group/carlos/index.php was not found on this server.
> Apache/2.2.15 (Oracle) Server at laufercenter.stonybrook.edu Port 80
>
> Is this content available elsewhere? Or there is another way to access the
> content?
>
> Yours faithfully,
>
> Lucas Bandeira
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>
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Received on Fri Jul 24 2020 - 11:30:03 PDT
