¶ Xponge.forcefield.amber
This package sets the basic configuration of amber force field
¶ subpackages
¶ submodules
¶ functions
¶ load_parameters_from_parmdat
This function is used to get amber force field parameters from parmdat files
| parameters |
explanation |
| filename |
the name of the input file |
| prefix |
whether add the AMBER_DATA_DIR to the filename |
¶ load_parameters_from_frcmod
This function is used to get amber force field parameters from frcmod files
| parameters |
explanation |
| filename |
the name of the input file |
| include_cmap |
whether include cmap |
| prefix |
whether add the AMBER_DATA_DIR to the filename |
¶ cmap_same_force
This function is used to return the same force type for an atom list
| parameters |
explanation |
| _ |
|
| atom_list |
|
