Xponge.forcefield.charmm
SPONGE 1.4 的 Xponge API 文档。¶ Xponge.forcefield.charmm
This package sets the basic configuration of CHARMM force field
¶ subpackages
¶ Xponge.forcefield.charmm.charmm27
¶ Xponge.forcefield.charmm.charmm36
¶ submodules
¶ Xponge.forcefield.charmm.tip3p
¶ Xponge.forcefield.charmm.tip3p_charmm
¶ functions
¶ load_parameter_from_ffitp
This function is used to get charmm force field parameters from GROMACS ffitp
| parameters | explanation |
|---|---|
| filename | the name of the input file |
| prefix | the folder of the file |
| return | None |
|---|