Convention for Hydrogen Names

The hydrogen names follow the scheme that is adopted by the CHARMM all-hydrogen force fields (Brooks et al., 1983). If a different scheme is required, the user can either rename the hydrogens in the topology file or change the molecular structure after it has been created. An example of how to change the hydrogen naming to the convention used by the DIANA program is supplied in the file “topallhdg.convert" in the “toppar" directory.

Xplor-NIH 2023-11-10