This command specifies the charge and radius data to be used with pseudo-PDB-format molecule files. The arguments are:
Note that APBS provides a few example files as part of the source code distribution. Currently, example files only contain the polar parameters that can also be assigned more easily through the PDB2PQR software. Parameter files with apolar values are not currently available for protein and nucleic acid parameters and are actively under development as a research project. Please contact Nathan Baker for additional information about the state of this research, particularly if you are interested in helping. |