Thanks for the video very interesting. Please sir can explain how to calculate solvent accessible surface area with gromacs especially the groups to be selected.
My dear friend, after writing the command you can chose your desire group(s). I just performed two separate MD simulation for a protein and its complex with a ligand. So, the sasa was analyzed in both system. The sasa results is appropriate in drug discovery approaches where one needs to measure solvability of a protein and its stability in a period of time.
@@al1r3z49 thanks soo much for the tutorials on gromacs they are very very helpful. Million thanks. I hope you will upload more videos on MD analysis with gromacs especially that of mmpbsa.
You can use qtgrace to generate graphs like xmgrace on windows
Thank you so much Saleha for your comment, I will use qtgrace. 🙏🙏
Thanks for the video very interesting. Please sir can explain how to calculate solvent accessible surface area with gromacs especially the groups to be selected.
My dear friend, after writing the command you can chose your desire group(s). I just performed two separate MD simulation for a protein and its complex with a ligand. So, the sasa was analyzed in both system. The sasa results is appropriate in drug discovery approaches where one needs to measure solvability of a protein and its stability in a period of time.
@@al1r3z49 thanks soo much for the tutorials on gromacs they are very very helpful. Million thanks. I hope you will upload more videos on MD analysis with gromacs especially that of mmpbsa.