How to Install and Uninstall packmol Package on Ubuntu 21.10 (Impish Indri)

Last updated: November 26,2024

1. Install "packmol" package

Please follow the step by step instructions below to install packmol on Ubuntu 21.10 (Impish Indri)


    
        
            $
        

        
            
                sudo apt update
            
                    
    
    Copied


    
        
            $
        

        
            
                sudo apt install
            
                        
                packmol
            
                    
    
    Copied

2. Uninstall "packmol" package

Please follow the guidance below to uninstall packmol on Ubuntu 21.10 (Impish Indri):


    
        
            $
        

        
            
                sudo apt remove
            
                        
                packmol
            
                    
    
    Copied


    
        
            $
        

        
            
                sudo apt autoclean && sudo apt autoremove
            
                    
    
    Copied

3. Information about the packmol package on Ubuntu 21.10 (Impish Indri)

Package: packmol
Architecture: amd64
Version: 20.010-1build1
Priority: optional
Section: universe/science
Origin: Ubuntu
Maintainer: Ubuntu Developers
Original-Maintainer: Debichem Team
Bugs: https://bugs.launchpad.net/ubuntu/+filebug
Installed-Size: 423
Depends: libc6 (>= 2.29), libgfortran5 (>= 8)
Recommends: tcl
Filename: pool/universe/p/packmol/packmol_20.010-1build1_amd64.deb
Size: 108992
MD5sum: cd709219fde524053c25752055ed032c
SHA1: 563984355761f991d7d22c0046675162de7664ad
SHA256: 84939670b64d02470702abb2b9697c4704b005623cb6da06e04d341ad6c50c60
SHA512: fc08979eb729d531cf5b2ce3d84323c789e60547837a4a938372e65f449eec5fcc71968e9da7c5f4c150e497cb43cc56ca21f3b9d8511f56bc4e3f83ce65f267
Homepage: http://m3g.iqm.unicamp.br/packmol/
Description-en: Initial configurations for Molecular Dynamics Simulations
Initial configurations for Molecular Dynamics Simulations by packing
optimization.
.
Packmol creates an initial point for molecular dynamics simulations by
packing molecules in defined regions of space. The packing guarantees
that short range repulsive interactions do not disrupt the
simulations.
.
The great variety of types of spatial constraints that can be
attributed to the molecules, or atoms within the molecules, makes it
easy to create ordered systems, such as lamellar, spherical or tubular
lipid layers.
.
The user must provide only the coordinates of one molecule of each
type, the number of molecules of each type and the spatial constraints
that each type of molecule must satisfy.
.
The package is compatible with input files of PDB, TINKER, XYZ and
MOLDY formats.
.
See http://m3g.iqm.unicamp.br/packmol for more information.
.
References
.
Please always cite one of the following references in publications for
which Packmol was useful:
.
L Martinez, R Andrade, EG Birgin, JM Martinez, Packmol: A package for
building initial configurations for molecular dynamics simulations.
Journal of Computational Chemistry, 30, 2157-2164, 2009.
(http://www3.interscience.wiley.com/journal/122210103/abstract)
.
JM Martinez, L Martinez, Packing optimization for the automated
generation of complex system's initial configurations for molecular
dynamics and docking. Journal of Computational Chemistry, 24, 819-825,
2003. (http://www3.interscience.wiley.com/journal/104086246/abstract)
Description-md5: 287daca65cb06ebd34c8faf7098f3a51