VMD-L Mailing List

From: Jérôme Hénin (jerome.henin_at_ibpc.fr)
Date: Fri Sep 09 2022 - 09:54:04 CDT

Hi Joe,

You don't need sudo privileges to install VMD on a workstation: before installing, you can edit the configure file to set an install directory owned by your unprivileged user account.

Best,
Jérôme

----- On 8 Sep 22, at 17:29, Klimkowski, V <vklimkow_at_butler.edu> wrote:

> Hi,
> Thanks very much to JC, Josh & Giacomo for their specific advice, as well as
> encouragement to install VMD 1.9.4 (latest alpha) rather than 1.9.3 on the
> older workstation I described. I'll be following up with that as soon as I get
> sudo privileges there.

> I actually have been using the alpha version (1.9.4a55-x86_64-R11) on my MAC but
> was hesitant to try it on this older workstation. On my MacBook Pro (Monterey
> 12.5.1) I have experienced some inconsistent problems with the windowing system
> (expandable lists not responsive, apparent scroll bars not showing up) in the
> ffTK plugin & possibly other plugins. Also, sometimes (inconsistently) when I
> "Quit VMD" I get an error message. Hopefully these are MAC specific. I will try
> send my observations to the developers.

> Thanks again for the helpful responses. Best,
> Joe

> From: Gumbart, JC <gumbart_at_physics.gatech.edu>
> Sent: Wednesday, September 7, 2022 11:13 AM
> To: Klimkowski, V <vklimkow_at_butler.edu>
> Cc: vmd-l_at_ks.uiuc.edu <vmd-l_at_ks.uiuc.edu>
> Subject: Re: vmd-l: Most relevant VMD install
> Trick question - none! You should always try to use the latest build, the
> 1.9.4alpha in this case. Probably you won’t need (or be able to use) the
> real-time ray tracing, so the first of the two linux builds listed should be
> fine. FFTK is notably improved between 1.9.3 and the latest alpha.

> Best,
> JC

>> On Sep 6, 2022, at 9:52 PM, Klimkowski, V < [ mailto:vklimkow_at_butler.edu |
>> vklimkow_at_butler.edu ] > wrote:

>> Hello Everyone,

>> I have been using VMD for a few years now installed on my MAC laptop. Mostly for
>> visualization & developing isosurfaces of Spatial Distribution Functions
>> created from MD of Deep Eutectic Solvents.

>> Recently an older Linux workstation became available to me that has Gaussian03
>> installed. I've decided I'd like to use this to do Force Field parameter
>> development with the ffTK incorporated in VMD. Many of the DES components we
>> study get moderate to high penalties scores when processed through the CGgenFF
>> website, so I can make good use of this facility.

>> My question is which of the six available binary distributions of VMD version
>> 1.9.3 is the best for the workstation configuration I have. Here are the
>> machine specifications:
>> Dell Precision T5400

>> OS: Ubuntu 18.04.2 LTS
>> Memory: 3.8 GiB
>> Processor: Intel® Xeon(R) CPU E5410 @ 2.33GHz × 4
>> Graphics: NV84
>> GNOME: 3.28.2
>> OS type: 64-bit
>> Disk: 78.2 GB
>> Please let me know if you have other questions. Any recommendations from the
>> group are really appreciated. Thank for your consideration,

>> V Joe Klimkowski, PhD
>> Chemistry Research Affiliate
>> Butler University
>> Indianapolis, IN