VMD-L Mailing List

From: Klimkowski, V (vklimkow_at_butler.edu)
Date: Tue Sep 06 2022 - 20:52:51 CDT

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