- GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of...
- It is primarily designed for biochemical molecules like proteins, lipids and nucleic acids that have a lot of complicated bonded interactions, but since GROMACS is...
- Is GROMACS so easier than LAMMPS? [ I use PDB file in my work too and charmm2lammps.pl for making LAMMPS input].
- Comand-line reference¶. GROMACS includes several tools for preparing, running and analysing molecular dynamics simulations.
- If the configuration file is edited then one can force a rereading of the new config file with gromacs.config.get_configuration()
- Download gromacs linux packages for Debian, Fedora, FreeBSD, Mageia, NetBSD, Red Hat Enterprise Linux, Solus, Ubuntu, openSUSE.
- Since 2001, GROMACS is developed by the GROMACS development teams at the Royal Institute of Technology and Uppsala University, Sweden.
- GROMACS is a very fast molecular dynamics code, which comes with lots of features like PME, a variety of cut-offs, non-equilibrium MD and more.
- On Blue Waters, GROMACS can be built under GNU programming environment. See GROMACS manual for additional insallation instructions.