EP 8 | Setting up Linux for MD Simulation | INSTALLING | Gromacs (Dirty) | VMD | GRACE

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  • เผยแพร่เมื่อ 11 ก.ย. 2024
  • Hi,
    I am Dr. Dweipayan Goswami,
    Welcome to my TH-cam channel "Learn at ease"
    In this Video I have explained how to setup Linux (Ubuntu) System to carry out MD simulations with Gromacs for which I have explained how to install Gromacs by dirty installation process and its uninstallation procedure, Installing procedure for Grace (xmgrace) and VMD
    Codes used in this video will be found at Github :
    github.com/Dwe...
    Timestamps
    1:00 Installing UCSF Chimera
    4:00 Updating and upgrading Linux system, installing libraries GCC, Cmake, Build-essential and libfftw3-dev
    6:05 Dirty installation of Gromacs
    8:20 Installing GRACE-XMGRACE
    9:30 Installation method for VMD
    17:20 Dirty installed Gromacs not detecting NVIDIA GPU
    19:08 Method to uninstall dirty install version of GROMACS

ความคิดเห็น • 9

  • @lemessaetana2011
    @lemessaetana2011 ปีที่แล้ว

    Very helpful demonstration. Thank you, Sir!

  • @nitinpaathshala5626
    @nitinpaathshala5626 3 หลายเดือนก่อน +1

    My Grace program does not open when entered xmgrace command

  • @tbarthakur
    @tbarthakur ปีที่แล้ว +1

    Hello. I have used WSL 2 for the same purpose. While trying to install VMD, I could not perform the final command of ./configure as I did not see any new file appear in the src folder. Please guide me if there is a different way to install VMD in WSL 2.

  • @drittepushpavathi8057
    @drittepushpavathi8057 17 วันที่ผ่านมา

    i didt get grace installation properly.I got the error messege when i type xmgrace like below
    Can't open display
    Failed initializing GUI, exiting

  • @md.nazimuddin4772
    @md.nazimuddin4772 ปีที่แล้ว +1

    Great

    • @DweipayanG
      @DweipayanG  ปีที่แล้ว

      Thank you 😊

    • @saraashraf5874
      @saraashraf5874 ปีที่แล้ว

      Sir
      My grace doesn't show display
      What should I do?

  • @metanoia_in_INRI
    @metanoia_in_INRI ปีที่แล้ว

    Hello, sir. Same commands and idea applies to WSL2 users no? I use windows subsystems for linux.

  • @kushunadkat9087
    @kushunadkat9087 8 หลายเดือนก่อน

    Any equivalents for Mac?