This package sets the basic configuration of amber force field
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 |
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 |
This function is used to return the same force type for an atom list
parameters |
explanation |
_ |
|
atom_list |
|