VMD-L Mailing List

From: David Sáez (davidsaezsan_at_gmail.com)
Date: Wed Feb 05 2020 - 11:45:41 CST

The ORCA support is great news.

Thanks!

On Wed, Feb 5, 2020 at 1:09 PM <giuseppe_at_ks.uiuc.edu> wrote:

> Dear David and Kim,
> to answer your question, we have not yet release a version of ffTK that is
> fully compatible with G16 because we could not access G16 license yet. We
> will hopefully have the license in a couple of weeks and do the
> appropriate changes to support G16. Meanwhile, I would like to inform you
> that the latest alpha version of VMD 1.9.4 contains an updated version of
> ffTK that supports the use of ORCA quantum package (and additional bug
> fixes). Please try it out if you wish.
>
> Best regards,
> Giuseppe Licari
>
> From: <owner-vmd-l_at_ks.uiuc.edu> on behalf of David Sáez
> <davidsaezsan_at_gmail.com>
> Date: Wednesday, February 5, 2020 at 05:05
> To: Gawtak Kim <shootgoaltag_at_gmail.com>
> Cc: "vmd-l_at_ks.uiuc.edu" <vmd-l_at_ks.uiuc.edu>
> Subject: Re: vmd-l: Gaussian16 support issue of ffTK
>
> Hello,
>
> My experience:
>
> https://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/31355.html
>
> Regards,
>
> David.
>
> El mié., 5 de febrero de 2020 5:08 a. m., Gawtak Kim
> <shootgoaltag_at_gmail.com> escribió:
> Hi.
>
> I use VMD Version 1.9.3 (Windows OpenGL) and
> I have read the tutorial manual, "Parameterizing Small Molecules Using the
> Force Field Toolkit (ffTK)."
>
> In Section 1.3 "Software and Knowledge Prerequisites" (p.5) of this manual,
> I could find the statement, "Currently, ffTK only supports the use of
> Gaussian09 for these calculations, and it is suggested that users obtain
> access to this commercial software package."
>
> Does ffTK also support Gaussian16?
>
> Best regards,
> Gawtak
>
>