GPLv2+ and ASL-2.0 and BSL-1.0 and MIT and LGPL-2.1
GROMACS is a versatile and extremely well optimized package to perform molecular dynamics computer simulations and subsequent trajectory analysis. It is developed for bio-molecules like proteins, but the extremely high performance means it is used also in several other field like polymer chemistry and solid state physics. mdrun has been compiled with thread parallellization (for running on a single node) and with MPICH (for running on multiple nodes). This package single and double precision binaries and libraries.
acquired package info from repodata DB: repodata/1878cc60a19e65efc93d1a539275c5a6799b0acbd7796ee105712c44cae47ab4-primary.sqlite.bz2
GROMACS is a versatile and extremely well optimized package to perform molecular dynamics computer simulations and subsequent trajectory analysis. It is developed for bio-molecules like proteins, but the extremely high performance means it is used also in several other field like polymer chemistry and solid state physics. This package includes architecture independent data and HTML documentation.
Levenberg-Marquardt least-squares minimization and curve fitting
C/C++ library for Levenberg-Marquardt least-squares minimization and curve fitting
Trajectory Next Generation binary format manipulation library
TRAJNG (Trajectory next generation) is a program library for handling molecular dynamics (MD) trajectories. It can store coordinates, and optionally velocities and the H-matrix. Coordinates and velocities are stored with user-specified precision. In addition, program specific information (text strings) can optionally be stored in the beginning of each file. Atomic labels can also optionally be stored once in the beginning of the file.