Complete Guide: Installing gromacs-mpich on Ubuntu 21.10 (Impish Indri) 2024

1. Install "gromacs-mpich" package

In this section, we are going to explain the necessary steps to install gromacs-mpich on Ubuntu 21.10 (Impish Indri)


    
        
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                sudo apt update
            
                    
    
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                sudo apt install
            
                        
                gromacs-mpich
            
                    
    
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2. Uninstall "gromacs-mpich" package

Learn how to uninstall gromacs-mpich on Ubuntu 21.10 (Impish Indri):


    
        
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                sudo apt remove
            
                        
                gromacs-mpich
            
                    
    
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                sudo apt autoclean && sudo apt autoremove
            
                    
    
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3. Information about the gromacs-mpich package on Ubuntu 21.10 (Impish Indri)

Package: gromacs-mpich
Architecture: amd64
Version: 2020.6-2
Priority: extra
Section: universe/science
Source: gromacs
Origin: Ubuntu
Maintainer: Ubuntu Developers
Original-Maintainer: Debichem Team
Bugs: https://bugs.launchpad.net/ubuntu/+filebug
Installed-Size: 17043
Depends: mpich, libc6 (>= 2.33), libfftw3-double3 (>= 3.3.5), libfftw3-single3 (>= 3.3.5), libgcc-s1 (>= 3.3.1), libgomp1 (>= 4.9), libhwloc15 (>= 2.4.1+dfsg), libmpich12 (>= 3.4.1-3build1), libstdc++6 (>= 5.2), zlib1g (>= 1:1.2.0)
Recommends: gromacs
Suggests: gromacs-data
Filename: pool/universe/g/gromacs/gromacs-mpich_2020.6-2_amd64.deb
Size: 6611612
MD5sum: e18260ff4736b055ad78e09486f953eb
SHA1: 3eca97164d0062d3346674cde34f78227c40e68c
SHA256: 017d1d5e4763407766de73dc03ea046904c56530317fd55a999a9b9c5dca8685
SHA512: b98f74c6e9f4da2b76e64a834340f4b2e0e3655b84da98c827573f66680572af8e42be84ba23a85e6cc049cb613096582ed343ad90d024132800bf6516ffb1cf
Homepage: http://www.gromacs.org/
Description-en: Molecular dynamics sim, binaries for MPICH parallelization
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.
.
This package contains only the core simulation engine with parallel
support using the MPICH (v3) interface. It is suitable for nodes of a
processing cluster, or for multiprocessor machines.
Description-md5: befd212127fab1c214923ce24592496e