From eb69dfa84bb47604681be64cb80d5f083bf7ea94 Mon Sep 17 00:00:00 2001 From: Rohit Goswami Date: Wed, 5 Feb 2020 15:29:33 +0000 Subject: [PATCH] readme: Add MD simulation and analysis tools readme: reformat to please travis readme: Update gromacs --- README.md | 3 +++ 1 file changed, 3 insertions(+) diff --git a/README.md b/README.md index aeda880..dff2578 100644 --- a/README.md +++ b/README.md @@ -181,7 +181,10 @@ A curated list of awesome C++ (or C) frameworks, libraries, resources, and shiny ## Chemistry *Chemistry, Geochemistry, Biochemistry* +* [d-SEAMS](https://github.com/d-SEAMS/seams-core) - A molecular dynamics trajectory analysis engine in C++ and Lua with Nix. It is an acronym for Deferred Structural Elucidation Analysis for Molecular Simulations. [GPL] [website](https://dseams.info) +* [gromacs](https://github.com/gromacs/gromacs) - A message-passing parallel molecular dynamics implementation. [GPL] [website](http://gromacs.org) * [Reaktoro](https://github.com/reaktoro/reaktoro) - A computational framework in C++ and Python for modeling chemically reactive systems. [LGPL] [website](https://reaktoro.org) +* [LAMMPS](https://github.com/lammps/lammps) - A classical molecular dynamics code with a focus on materials modeling. It's an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. [GPL] [website](https://lammps.sandia.gov/) ## CLI *Console/Terminal User Interface, Command Line Interface*