VMD-L Mailing List

From: Josh Vermaas (vermaasj_at_msu.edu)
Date: Wed Sep 07 2022 - 07:56:34 CDT

Hi Joe,

The one I would recommend is actually the 1.9.4 for linux without RTX
ray tracing enabled. While it says its a CUDA build, from what I can
remember it doesn't need a full-blown CUDA developers toolkit to run,
but is distributed with the few CUDA libraries it would need to run.

-Josh

On 9/6/22 9:52 PM, Klimkowski, V 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
>
>
>
>
>
> 

-- 
Josh Vermaas
vermaasj_at_msu.edu
Assistant Professor, Plant Research Laboratory and Biochemistry and Molecular Biology
Michigan State University
vermaaslab.github.io