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 🙂
@asm97493 күн бұрын
Hello Sir, what is the configuration of the system to rum gromacs?
@tishadash94396 күн бұрын
Thank you 👍🏻
@pankajbarfal478411 күн бұрын
thank you very much sir, very informative.
@estervarnavsky296311 күн бұрын
thank you from israel!
@khansarahman146512 күн бұрын
Useful video
@beyiokubabatunde461016 күн бұрын
Good job, good explanation.Weldone
@daljeetkaur969316 күн бұрын
Thanks a lot Sir Very helpful video
@susmitaroy389917 күн бұрын
Sir, Is this tutorial valid for Ubuntu OS, which is a Virtual Box?
@Ashrafwazirkhan20 күн бұрын
Need videos on free energy calculations gmx-mmpbsa
@Ashrafwazirkhan20 күн бұрын
Need videos on free energy calculations gmx-mmpbsa
@Ashrafwazirkhan20 күн бұрын
Need videos on free energy calculations gmx-mmpbsa
@Ashrafwazirkhan20 күн бұрын
Need videos on free energy calculations mm-mmpbsa
@peiqiao962122 күн бұрын
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?
@kankipatitejashyam211623 күн бұрын
Hello there, can you please tell me your system (PC/LAPTOP) specifications Thank you
@quickbiology515924 күн бұрын
sir can you pls help with this log in process they are saying you need to purchase an item
@hridoy.00724 күн бұрын
Good work ❤️ Thank you so much 😊
@Snehakaashid24 күн бұрын
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
@victoriaogor452527 күн бұрын
Very useful sir, thanks.
@varshinikore301129 күн бұрын
2619 atoms are not part of any of the T-coupling groups I am getting same error every time plzzz suggest what to do
@abhishekdas6874Ай бұрын
Best <3
@anjalighosh13Ай бұрын
Sir forward primer always binds with anti sense strand and reverse primer binds with sense strand.
@thotavinaykumar285Ай бұрын
Please sir, can you please do this mac os!
@PraneelSinglaАй бұрын
Thank you for the tutorial! Very well explained and worked properly.
@fazalkarim5528Ай бұрын
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
@sivaramansharadat3430Ай бұрын
Can I run gromacs md simulations in windows
@carolinemaina4062Ай бұрын
You are a lifesaver. Everything works perfectly. Thank you so much for such a detailed presentation
@monahussain1938Ай бұрын
sir am always trying to create ligand topologies from swissparam but there is always an error although i follow all the steps
@Samiya-ni3fnАй бұрын
Your explanation is mind-blowing 🎉 Plz make a vedio on SMART and TBtool
@hlatywayotinotenda3895Ай бұрын
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.
@user-xr2kt7qd6nАй бұрын
Hi Why is there no alignment?
@ES-yd1zeАй бұрын
Hi Dear Vina linux pl is installed with vina or it is different ?
@nitinpaathshala5626Ай бұрын
My Grace program does not open when entered xmgrace command
@eyeaball5436Ай бұрын
Thank you so much for this explanation, I will be using this software soon!
@dilarashakirova3600Ай бұрын
Thank you so much!
@JellaMarutiАй бұрын
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.
@johannabangoy48132 ай бұрын
How did you get the sequence of the reference strains?
@karukuvelrajaraja61012 ай бұрын
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
@niveditasingh58372 ай бұрын
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
@PujaBK-qt4cx2 ай бұрын
downloading requires purchase. how to go about it
@JQ-rf1xb2 ай бұрын
Thank you for your wonderful explanation, it helped me tremendously😁
@manideepgoud71222 ай бұрын
Sir, can you explain how to run hole2 programme for protein pore calculation
@DrMubashirAziz_official2 ай бұрын
Thanku sir for great tutorial..can you please share this package via drive link??
@ipinlojunureni87802 ай бұрын
Hi Dr. Thank you for the wonderful lecture When converting to a topology file, I am getting an error that Residue 'BRL' is not found in residue topology databases. How can I solve this issue sir?
@nimraimtiaz9822 ай бұрын
Thanks a lot...I could find only this video very useful...❤
@NurArshad2 ай бұрын
Hi, I have run an MD simulations for 100ns on protein-protein complex, and I am currently trying to analyse the results. However, while I was running the simulations, there was a power cut-off on my PC and in order to continue the simulations, I extended the running time for another 20ns. unfortunately, when I tried to generate the RMSD plot, I noticed that the plot did not start from 0ns but from around 90ns, and the value of the RMSD just shoot to around 2.9-3.0nm. I also had another simulations run for 1ns, and the graph actually starts from 0ns point. So, I actually noticed that I have few parts of the xtc files and planned to combine them so I get to generate a continuous RMSD plot from 0ns to 120ns using this command gmx trjcat -f *.xtc -o fixed.xtc but I have been getting errors. Would you suggest any advice for me? Thank you in advanced.
@user-wv8yq5xm1h2 ай бұрын
Sir im finding this error CMake Error at cmake/gmxManageCuda.cmake:116 (enable_language): No CMAKE_CUDA_COMPILER could be found. Tell CMake where to find the compiler by setting either the environment variable "CUDACXX" or the CMake cache entry CMAKE_CUDA_COMPILER to the full path to the compiler, or to the compiler name if it is in the PATH. Call Stack (most recent call first): CMakeLists.txt:699 (include)
@javierenriquelombanaespino6225Ай бұрын
Did you fix your error?
@prashantmore79123 ай бұрын
Sir, What is the reason that in Maestro, job is died automatically?
@Zahid.Mumtaz3 ай бұрын
Please guide me, I am stuck as my consensus sequence is coming in this form. what to do? Example >Consensus -------------------------------------------CTGCCAGTAAGACAGGGATAACGCCCGGAAAC-GAAGCAAATAACGCATA--AACCACTCCGCCAGGGGAG-ACGATCGAAAGACGGAAACGCAAAGCAATT---GACGGGCCCCCGCA-CAAGAGCTAGAGCATGAGGTA-AAGGCGAACCAACGCAAAGAACCATACCAGACCTG-GACA-TCATCGGACA-ACT----CT-AGACCAAAAAACAAGGCTCAACCC-GGAGGGTAAGCGGAAACTCGCCAGCCCGAAA-CACCCAGATAATCC-------------------
Пікірлер
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
downloading requires purchase. how to go about it
Thank you for your wonderful explanation, it helped me tremendously😁
Sir, can you explain how to run hole2 programme for protein pore calculation
Thanku sir for great tutorial..can you please share this package via drive link??
Hi Dr. Thank you for the wonderful lecture When converting to a topology file, I am getting an error that Residue 'BRL' is not found in residue topology databases. How can I solve this issue sir?
Thanks a lot...I could find only this video very useful...❤
Hi, I have run an MD simulations for 100ns on protein-protein complex, and I am currently trying to analyse the results. However, while I was running the simulations, there was a power cut-off on my PC and in order to continue the simulations, I extended the running time for another 20ns. unfortunately, when I tried to generate the RMSD plot, I noticed that the plot did not start from 0ns but from around 90ns, and the value of the RMSD just shoot to around 2.9-3.0nm. I also had another simulations run for 1ns, and the graph actually starts from 0ns point. So, I actually noticed that I have few parts of the xtc files and planned to combine them so I get to generate a continuous RMSD plot from 0ns to 120ns using this command gmx trjcat -f *.xtc -o fixed.xtc but I have been getting errors. Would you suggest any advice for me? Thank you in advanced.
Sir im finding this error CMake Error at cmake/gmxManageCuda.cmake:116 (enable_language): No CMAKE_CUDA_COMPILER could be found. Tell CMake where to find the compiler by setting either the environment variable "CUDACXX" or the CMake cache entry CMAKE_CUDA_COMPILER to the full path to the compiler, or to the compiler name if it is in the PATH. Call Stack (most recent call first): CMakeLists.txt:699 (include)
Did you fix your error?
Sir, What is the reason that in Maestro, job is died automatically?
Please guide me, I am stuck as my consensus sequence is coming in this form. what to do? Example >Consensus -------------------------------------------CTGCCAGTAAGACAGGGATAACGCCCGGAAAC-GAAGCAAATAACGCATA--AACCACTCCGCCAGGGGAG-ACGATCGAAAGACGGAAACGCAAAGCAATT---GACGGGCCCCCGCA-CAAGAGCTAGAGCATGAGGTA-AAGGCGAACCAACGCAAAGAACCATACCAGACCTG-GACA-TCATCGGACA-ACT----CT-AGACCAAAAAACAAGGCTCAACCC-GGAGGGTAAGCGGAAACTCGCCAGCCCGAAA-CACCCAGATAATCC-------------------
Thanks a lot!