Are gmx chi and gmx rama specifically geared toward amino acid dihedrals? I tried using them on a nucleic acid simulation but the files didn’t return any values and in the case of gmx chi, I received this error:
Command line:
gmx chi -s md_0_1.tpr -f md_0_1.xtc -o
Back Off! I just backed up chi.log to ./#chi.log.1#
Reading file md_0_1.tpr, VERSION 2023.3-conda_forge (single precision)
Reading file md_0_1.tpr, VERSION 2023.3-conda_forge (single precision)
0 residues with dihedrals found
Program: gmx chi, version 2023.3-conda_forge
Source file: src/gromacs/gmxana/gmx_chi.cpp (line 1516)
Fatal error:
No dihedrals in your structure!