How to Install and Uninstall gromacs-mpich Package on Ubuntu 16.04 LTS (Xenial Xerus)

Last updated: December 23,2024

1. Install "gromacs-mpich" package

This guide covers the steps necessary to install gromacs-mpich on Ubuntu 16.04 LTS (Xenial Xerus)


    
        
            $
        

        
            
                sudo apt update
            
                    
    
    Copied


    
        
            $
        

        
            
                sudo apt install
            
                        
                gromacs-mpich
            
                    
    
    Copied

2. Uninstall "gromacs-mpich" package

This is a short guide on how to uninstall gromacs-mpich on Ubuntu 16.04 LTS (Xenial Xerus):


    
        
            $
        

        
            
                sudo apt remove
            
                        
                gromacs-mpich
            
                    
    
    Copied


    
        
            $
        

        
            
                sudo apt autoclean && sudo apt autoremove
            
                    
    
    Copied

3. Information about the gromacs-mpich package on Ubuntu 16.04 LTS (Xenial Xerus)

Package: gromacs-mpich
Priority: extra
Section: universe/science
Installed-Size: 21368
Maintainer: Ubuntu Developers
Original-Maintainer: Debichem Team
Architecture: amd64
Source: gromacs
Version: 5.1.2-1ubuntu1
Replaces: gromacs-dev (<< 4.6.3-3~)
Depends: mpich, libc6 (>= 2.15), libfftw3-double3, libfftw3-single3, libgcc1 (>= 1:3.0), libgomp1 (>= 4.9), libmpich12, libstdc++6 (>= 5.2), zlib1g (>= 1:1.2.0)
Recommends: gromacs
Suggests: gromacs-data
Breaks: gromacs-dev (<< 4.6.3-3~)
Filename: pool/universe/g/gromacs/gromacs-mpich_5.1.2-1ubuntu1_amd64.deb
Size: 7828070
MD5sum: e495fe14e8bc8945f57bb65306fac42e
SHA1: 3509b0b6bd96f710b2efb265da95c7941f9b5eb8
SHA256: b2c48fb5c0271131eb6961ef80a8bd902163bec121af74c674772746c1e8d22e
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
Homepage: http://www.gromacs.org/
Bugs: https://bugs.launchpad.net/ubuntu/+filebug
Origin: Ubuntu