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

Hi,
I am Dr. Dweipayan Goswami,
Welcome to my KZbin 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

[@lemessaetana2011]

Very helpful demonstration. Thank you, Sir!

[@nitinpaathshala5626]

My Grace program does not open when entered xmgrace command

[@tbarthakur]

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]

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]

Great

[@DweipayanG]

Thank you 😊

[@saraashraf5874]

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

[@metanoia_in_INRI]

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

[@kushunadkat9087]

Any equivalents for Mac?