Hi,
I have calculated dihedral of my amino acid residue by' gmx angle -f traj_comp.xtc -n ANG.ndx -od ang2.xvg -type dihedral' but it gives intensity vs dihedral plot. I want dihedral vs time plot. I have tried the command ' gmx chi -f traj_comp.xtc -s md_1.tpr -o dihed2.xvg' but it says "No dihedrals in your structure! "...." 0 residues with dihedrals found ". Moreover in this command I cannot choose the index file.
Please suggest me how can I solve the problem?
Thanks in advance
- Badges
- Science topic
- Similar topics
- Indexes
More Tonima Nandy's questions See All
Similar questions and discussions