Xponge.forcefield.base.cmap_base
SPONGE 1.4 的 Xponge API 文档。¶ Xponge.forcefield.base.cmap_base
This module is the basic setting for the force field format of atom-specific cmap
¶ subpackages
¶ submodules
¶ functions
¶ cmap_same_force
This function is used to return the same force type for an atom list
| parameters | explanation |
|---|---|
| _ | |
| atom_list |
| return | None |
|---|
¶ write_cmap
This function is used to write SPONGE input file
| parameters | explanation |
|---|---|
| self | the Molecule instance |
| return | the string to write |
|---|