VMD-L Mailing List

From: Gawtak Kim (shootgoaltag_at_gmail.com)
Date: Thu Feb 06 2020 - 22:19:58 CST

Great, thank you!

Best regards,
Gawtak

2020년 2월 7일 (금) 오전 10:59, JC Gumbart <gumbart_at_physics.gatech.edu>님이 작성:

> 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>님이 작성:
>
>> 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
>>>
>>>
>