gromacs-charmm36 on AUR (Arch User Repository)

Last updated: November 24,2024

1. Install "gromacs-charmm36" effortlessly via AUR with the help of a helper(YAY)

a. Install YAY (https://github.com/Jguer/yay)


    
        
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                sudo pacman -S --needed git base-devel && git clone https://aur.archlinux.org/yay.git && cd yay && makepkg -si
            
                    
    
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b. Install gromacs-charmm36 on Arch using YAY


    
        
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                yay -S
            
                        
                gromacs-charmm36
            
                    
    
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* (Optional) Uninstall gromacs-charmm36 on Arch using YAY


    
        
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                yay -Rns
            
                        
                gromacs-charmm36
            
                    
    
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2. Manually Install "gromacs-charmm36" via AUR

a. Ensure you have the base development tools and git installed with:


    
        
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                sudo pacman -S --needed
            
                        
                base-devel git
            
                    
    
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b. Clone gromacs-charmm36's git locally


    
        
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                git clone https://aur.archlinux.org/gromacs-charmm36.git 
            
                        
                ~/gromacs-charmm36
            
                    
    
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c. Go to ~/gromacs-charmm36 folder and install it


   
    
        
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                cd
            
                        
                ~/gromacs-charmm36
            
                    
    
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                makepkg -si
            
                    
    
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3. Information about the gromacs-charmm36 package on Arch User Repository (AUR)

ID: 954443
Name: gromacs-charmm36
PackageBaseID: 99761
PackageBase: gromacs-charmm36
Version: 202102-1
Description: CHARMM36 force field in GROMACS format.
URL: http://mackerell.umaryland.edu/charmm_ff.shtml#gromacs
NumVotes: 1
Popularity: 0
OutOfDate:
Maintainer: hseara
Submitter: hseara
FirstSubmitted: 1441977870
LastModified: 1630324375
URLPath: /cgit/aur.git/snapshot/gromacs-charmm36.tar.gz