[gmx-users] shameless self-promotion

Alex nedomacho at gmail.com
Mon Nov 26 22:20:36 CET 2018

Hi all,

This isn't a Gromacs question, but a bit of self-promotion with a
not-so-hidden agenda.

1. Here's our paper that I think might be of interest to you beautiful
biophysics folks: https://www.nature.com/articles/s41563-018-0220-4

2. All of this was done with Gromacs. I cannot imagine any other package
capable of providing simulated timescales like this without an actual
supercomputer (we had three GPU-accelerated nodes). We use other MD
packages (which will not be named) and nothing comes close speed-wise. Our
endless love and gratitude go to the developers.

3. GMX developers: We will _NOT_ stop using Gromacs for non-biomolecules!
It can be done and it should be done, and Gromacs works for these systems.
Sometimes with a little bit of system design pain, but it does. Maybe one
day you will find it in your hearts to listen to the solid-state folks and
start extending software capabilities to meet our needs more directly. One
can only hope. ;)

I invite your "wow that's interesting stuff" and other comments here.
Again, thanks!


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