Xponge.forcefield.base.virtual_atom_base
SPONGE 1.4 的 Xponge API 文档。¶ Xponge.forcefield.base.virtual_atom_base
This module is the basic setting for the force field format of virtual atoms
¶ subpackages
¶ submodules
¶ functions
¶ write_virtual_atoms
This function is used to write SPONGE input file
| parameters | explanation |
|---|---|
| self | the Molecule instance |
| return | the string to write |
|---|