VMD-L Mailing List

From: giuseppe_at_ks.uiuc.edu
Date: Wed Feb 05 2020 - 10:09:08 CST

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