GROMACS version:
GROMACS modification: Yes/No
Here post your question I have to find out the angle/dihedral and any changes for whole trajectory for protein-ligand simulation/ steered MD. also we want to find change in torsion angle between residue 2 residues val617 and arg456 of any protein or torsion bond between val690 and ligand.
Hello sir may i knw which tool . I think you missed to tell the name of tool
The words ‘This tool’ are a link, click on them! :) Here is the tool again: gmx angle - GROMACS 2024.3 documentation
sir, we have tried this but were unable to do it . As we are unable to understand the making of index group as mentioned in the image ( 0 1 2) . We don’t have any residue numbered as 0 1 2 ,they are 645 734 etc . Hence we are unable to understand how to use this matrix for our work.
For more we have attached our pull.gro and pull.xtc files.
