g_rdf
Molecular dynamics simulator, with building and analysis tools
Install
- All systems
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curl cmd.cat/g_rdf.sh
- Debian
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apt-get install gromacs - Ubuntu
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apt-get install gromacs - Kali Linux
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apt-get install gromacs - Fedora
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dnf install gromacs - Windows (WSL2)
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sudo apt-get updatesudo apt-get install gromacs - OS X
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brew install gromacs - Raspbian
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apt-get install gromacs - Dockerfile
- dockerfile.run/g_rdf
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.