g_analyze

Molecular dynamics simulator, with building and analysis tools

Install

All systems
curl cmd.cat/g_analyze.sh
Debian Debian
apt-get install gromacs
Ubuntu
apt-get install gromacs
image/svg+xml Kali Linux
apt-get install gromacs
Fedora
dnf install gromacs
OS X
brew install gromacs
Raspbian
apt-get install gromacs

gromacs

Molecular dynamics simulator, with building and analysis tools

GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. It is primarily designed for biochemical molecules like proteins and lipids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non- biological systems, e.g. polymers.