Changing torsion angle


How can I change a torsion angle manually in materials studio?


Why are you posting this question to the LAMMPS mailing list?


If you were asking about LAMMPS I would tell you read the documentation for the dihedral_style and dihedral_coeff commands. (Note, there are many more dihedral styles than the ones in that list.) I would also tell you to learn about LAMMPS’ “data” file format (in particular, scroll down to the “Dihedrals” section). If you are using external tools to convert materials studio files into LAMMPS format, they you would edit the “dihedral_coeff” commands in the lammps input script generated by those tools. (And possibly by editing the 2nd column of the “Dihedrals” section of the LAMMPS data file.)