Thank you Dr. Dweipayan for this vedio, please do I need to install ubuntu on my system before giving the commands? After pasting the command it says- 'sudo' is not recognized as an internal or external command, operable program or batch file.

You're amazing. Thank you!

For those who have an issue with maestro not starting or crashing, this command which was given by chatgpt helped me sudo apt-get install --reinstall libqt5core5a libqt5gui5 libqt5widgets5

I have a problem with mol2 file, when I parameterize through SwissParam, its provide a failure report, and when I fix this, no details were shown, but it's still showing error.... How do I fix this?

sir , i need to your support can we install two deferent version of gromacs with one system with mpi

Very informative, thank you.

Thank you so much for your nice informative videos.... All your suggestions related to Gromacs worked for me...🙏🙏🙏

Wil it be the same for AMBER forcefield

sir i am facing an issue it says maestro faced a fatal error reason failed to load radeonsi driver how to overcome this ?

U said wrong that nothing has changed due to modification..the GI absorption became high.. The rules showed no violations in the modified drug..bro

Which one is better for further computaionla analysis and docking alpha fold or homology model?

Thanks for sharing this tutorial. Just a note for those who may come across the same issue, I had to install CUDA toolkit using sudo apt install nvidia-cuda-toolkit to get my installation right. The original method presented in the video didn't work for me 🙂

Hello Sir, what is the configuration of the system to rum gromacs?

Thank you 👍🏻

thank you very much sir, very informative.

thank you from israel!

Useful video

Good job, good explanation.Weldone

Thanks a lot Sir Very helpful video

Sir, Is this tutorial valid for Ubuntu OS, which is a Virtual Box?

Need videos on free energy calculations gmx-mmpbsa

Need videos on free energy calculations gmx-mmpbsa

Need videos on free energy calculations gmx-mmpbsa

Need videos on free energy calculations mm-mmpbsa

Hello, Thanks for this tutorial. I followed the steps until I try to compile gromacs-2024.2. The program reported error during cmake. It reads like this: 'CMake Error at /usr/share/cmake-3.28/Modules/CMakeDetermineCUDACompiler .cmake:270 (message): Failed to detect a default CUDA architecture.' could you please tell me how to fix it?

Hello there, can you please tell me your system (PC/LAPTOP) specifications Thank you

sir can you pls help with this log in process they are saying you need to purchase an item

Good work ❤️ Thank you so much 😊

I got an error sir my cordinate file (box_sol.gro 23286) and topology file number( 21270 ) Did not match. Kindly help me . I follow your vedio since episode 8 till now it work smoothly but now this error arises

Very useful sir, thanks.

2619 atoms are not part of any of the T-coupling groups I am getting same error every time plzzz suggest what to do

Best <3

Sir forward primer always binds with anti sense strand and reverse primer binds with sense strand.

Please sir, can you please do this mac os!

Thank you for the tutorial! Very well explained and worked properly.

Thanks for your very informative video but I am getting Cmake error configuration file unable to detect cuda compiler Although I have installed cuda toolkit

Can I run gromacs md simulations in windows

You are a lifesaver. Everything works perfectly. Thank you so much for such a detailed presentation

sir am always trying to create ligand topologies from swissparam but there is always an error although i follow all the steps

Your explanation is mind-blowing 🎉 Plz make a vedio on SMART and TBtool

from the tutorial, i am failing to understand how the protein-ligand interaction in Pose1 is maintained. Does it differ, lets say i have used pose3 or i have downloaded the ligand in sdf format and just converted it to mol2 format using open babel. May you please help me.

Hi Why is there no alignment?

Hi Dear Vina linux pl is installed with vina or it is different ?

My Grace program does not open when entered xmgrace command

Thank you so much for this explanation, I will be using this software soon!

Thank you so much!

Thank you so much for the super awesome tutorial. A quick question, do we have to run the equilibration run for NVT and NPT for exactl same time as that of md run (for eg 25 ns for all, NVT, NPT and md run)? Please let me know, thanks a lot again for all the hard work.

How did you get the sequence of the reference strains?

Thank you so much even very know persons can't teach me this past 2 months lot of errors and mistakes finally I saw your video truly I can't got any errors successfully I done this thank you very much sir

Thank you so much sir. This video has been fundamental for me to learn MD simulation. Please upload video to calculate cross correlation matrix also. It is imperative for may work