├── CODE_OF_CONDUCT.md ├── CONTRIBUTING.md ├── LICENSE ├── NOTICE ├── README.md ├── configure ├── examples ├── GABAA │ ├── aa_prot.itp │ ├── aa_prot.pdb │ ├── cg.pdb │ └── cg.top ├── hERG │ ├── aa_herg.itp │ ├── aa_herg.pdb │ ├── cg.pdb │ └── cg.top └── oleate │ ├── cg.top │ └── input_CG.pdb ├── ezAlign.py └── files ├── ADPG.itp ├── ALPG.itp ├── AMPG.itp ├── BZA.itp ├── CHOL.itp ├── DLPE.itp ├── DPPC.itp ├── OLE.itp ├── OLEP.itp ├── POPC.itp ├── POPE.itp ├── POPG.itp ├── POPS.itp ├── PSM.itp ├── SAPC.itp ├── SAPE.itp ├── SAPI.itp ├── SAPS.itp ├── SSM.itp ├── aa_lipid.top.template ├── aa_water.pdb ├── aa_water_ion.pdb ├── amino_map.py ├── charmm36-jul2017.ff ├── atomtypes.atp ├── cmap.itp ├── ffbonded.itp ├── ffnonbonded.itp ├── forcefield.doc ├── forcefield.itp ├── gb.itp ├── ions.itp ├── merged.arn ├── merged.c.tdb ├── merged.hdb ├── merged.n.tdb ├── merged.r2b ├── merged.rtp ├── merged.vsd ├── nbfix.itp ├── old_c36_cmap.itp ├── spc.itp ├── spce.itp ├── tip3p.itp ├── tip4p.itp └── watermodels.dat ├── charmm_other.prm ├── ctbe.itp ├── em1.mdp ├── em1_prot.mdp ├── em1_sc.mdp ├── em_all_no_inter.mdp ├── eq1.mdp ├── eq2.mdp ├── eq3.mdp ├── eq4.mdp ├── lsar.itp ├── md1_prot.mdp ├── md2_prot.mdp ├── one_ADPG.pdb ├── one_ALPG.pdb ├── one_AMPG.pdb ├── one_BZA.pdb ├── one_CHOL.pdb ├── one_DLPE.pdb ├── one_DPPC.pdb ├── one_OLE.pdb ├── one_OLEP.pdb ├── one_POPC.pdb ├── one_POPE.pdb ├── one_POPG.pdb ├── one_POPS.pdb ├── one_PSM.pdb ├── one_SAPC.pdb ├── one_SAPE.pdb ├── one_SAPI.pdb ├── one_SAPS.pdb ├── one_SSM.pdb ├── one_ctbe.pdb ├── one_lsar.pdb ├── one_taur.pdb ├── residues.map ├── sd1_sc.mdp ├── sd_no_inter.mdp └── taur.itp /CODE_OF_CONDUCT.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/LLNL/ezAlign/HEAD/CODE_OF_CONDUCT.md -------------------------------------------------------------------------------- /CONTRIBUTING.md: -------------------------------------------------------------------------------- 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