├── .gitignore ├── LICENSE ├── README.rst ├── doc └── manual.pdf ├── examples ├── lie │ ├── lie.log │ └── lie.vmd ├── md │ ├── com.dcd │ ├── com.psf │ ├── lig.dcd │ └── lig.psf ├── mmpbsa │ ├── mmpbsa.log │ └── mmpbsa.vmd └── toppar │ ├── lig.str │ ├── par_all22_prot.prm │ ├── par_all36_cgenff.prm │ └── toppar_water_ions_namd.str ├── image └── logo.png ├── patch └── topoatoms.tcl └── src ├── cafe.tcl ├── cafe_lie.tcl ├── cafe_mmpbsa.tcl ├── cafe_tools.tcl ├── par_all22_prot.inp └── pkgIndex.tcl /.gitignore: -------------------------------------------------------------------------------- 1 | # Vim 2 | .sw[po] 3 | *~ 4 | -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/HuiLiuCode/CaFE_Plugin/HEAD/LICENSE -------------------------------------------------------------------------------- /README.rst: 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