How does it compare to, for example, GROMACS?
- Egon Willighagen
We do some things that GROMACS doesn't do - notably metallic force fields, atoms with orientational degrees of freedom, some non-equilibrium MD methods, some real-space electrostatic methods. That said, GROMACS is incredibly fast and very widely used, so I have a lot of respect for that code and the people who work on it.
- Dan Gezelter
I left them a note inquiring whether they would be willing to give an open science spin to the consultancy. For instance, we could define the criteria for the individual points collaboratively, and this could then serve as the basis for other organizations that might consider getting their feet wet in this area as well.
- Daniel Mietchen
Their response required clarification as to what I had in mind with "adding an open science component to the project", and I replied "What I had in mind was that the consultant could in principle gather the required information in public, such that (a) others can join in the drafting, or at least comment on it and (b) others can reuse the information." I also submitted a formal expression of interest.
- Daniel Mietchen
Reply just came in: "I wanted to let you know that we have hired a consultant whose experience was a better match for our needs at this time."
- Daniel Mietchen
I'll be interested to see who that person is.
- Bill Hooker
New Neal Stephenson and Vernor Vinge books arrived simultaneously. Which to read first?