Force Field Files for Use in CHARMM/NAMD
Please cite our associated papers if these are used
- CHARMM36-LJPME (PC, PG and PE lipid FF for use with LJ-PME only; cutoff independent): C36-LJPME
- CHARMM36 (Most up-to-date version of the CHARMM lipid FF with cutofs): Prof. MacKerell website
- CHARMM36UAr an updated United Chain model: Stream
- CHARMM36-Vinyl Ethers and Plasmalogens: Stream
- CHARMM36-updated bacterial lipids with P. aeruginosa Lipids: Bacterial Update.
- CHARMM36-Saturated Ethers and Ether Lipids: Ethers and Ether Lipids
- CHARMM36-Ceramides/Sphingo Lipids: Stream/Notes files
- CHARMM36-bacterial (cyclic chain for E. coli membranes & branched lipids): Stream/Notes files
- CHARMM36-Cholesterol (update to cholesterol FF): Stream/Notes files
- CHARMM36UA (chain united atom): Stream file
- CHARMM27r (C27r, revised C27 for aliphatic chain of lipids): Par/Top files
- CHARMM27rn (C27rn, force field for nitro compounds): Par/Top files
- AMBER99 for use in CHARMM: Par/Top files (NOTE: CHARMM needs to be compiled with the AMBER keyword in the pref.dat file to be consistent with AMBER conversion factors)
- AMBER99SB for use in CHARMM (Hornak, V., et al. Proteins: S.F.B. 65:712 (2006)): Par/Top files (NOTE: CHARMM needs to be compiled with the AMBER keyword in the pref.dat file to be consistent with AMBER conversion factors)
- AMBER99-bs0 for use in CHARMM (Perez, A. et al. BJ. 92: 3817 (2007)): Par/Top files (NOTE: CHARMM needs to be compiled with the AMBER keyword in the pref.dat file to be consistent with AMBER conversion factors)