VMD-L Mailing List

From: JC Gumbart (gumbart_at_physics.gatech.edu)
Date: Thu Feb 06 2020 - 19:58:52 CST

I actually fixed this error a couple years ago and it’s in all the 1.9.4alpha builds. David’s solution is right. We use Gaussian 16 without any problems.

Best,
JC

> On Feb 6, 2020, at 12:13 AM, Gawtak Kim <shootgoaltag_at_gmail.com> wrote:
>
> Thank you for your answers.
>
> Then I can buy Gaussian16 without anxiety.
>
> But, if the official version of VMD 1.9.4 (Windows OpenGL) has to be released for the full compatibility with Gaussian16,
> when would the official version be released?
>
> Best regards,
> Gawtak
>
> 2020년 2월 6일 (목) 오전 2:45, David Sáez <davidsaezsan_at_gmail.com <mailto:davidsaezsan_at_gmail.com>>님이 작성:
> The ORCA support is great news.
>
> Thanks!
>
> On Wed, Feb 5, 2020 at 1:09 PM <giuseppe_at_ks.uiuc.edu <mailto: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 <mailto:owner-vmd-l_at_ks.uiuc.edu>> on behalf of David Sáez
> <davidsaezsan_at_gmail.com <mailto:davidsaezsan_at_gmail.com>>
> Date: Wednesday, February 5, 2020 at 05:05
> To: Gawtak Kim <shootgoaltag_at_gmail.com <mailto:shootgoaltag_at_gmail.com>>
> Cc: "vmd-l_at_ks.uiuc.edu <mailto:vmd-l_at_ks.uiuc.edu>" <vmd-l_at_ks.uiuc.edu <mailto: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 <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 <mailto: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
>