Xponge.forcefield.opls
SPONGE 1.4 的 Xponge API 文档。¶ Xponge.forcefield.opls
This package sets the basic configuration of OPLS force field
¶ subpackages
¶ Xponge.forcefield.opls.oplsaam
¶ submodules
¶ Xponge.forcefield.opls.tip4p
¶ functions
¶ load_parameter_from_ffitp
This function is used to get opls force field parameters from GROMACS ffitp
| parameters | explanation |
|---|---|
| filename | the name of the input file |
| prefix | the folder of the file |
| return | None |
|---|