openmmforcefields/amber/files

Manifest

• lipids.pdb - DOPC lipids stripped from DOPC_128.pdb from http://ambermd.org/tutorials/advanced/tutorial16/#Lipid_Bilayer_Structures
• add_CONECT_cards.py - script from Peter Eastman to add missing CONECT cards to a PDB file
• lipid_bonds.xml - reference bond information for POPE (resname POE) and POPC (resname POC)
• POPC.pdb - lipids and water from https://github.com/pandegroup/openmm/issues/1611#issuecomment-345833083
• POPE.pdb - lipids and water from https://github.com/pandegroup/openmm/issues/1611#issuecomment-345833083
• POPC-nowater.pdb - lipids only version of POPC.pdb
• POPE-nowater.pdb - lipids only version of POPE.pdb
• POPC-nowater-charmm.pdb - lipids only version of POPC.pdb with four-letter CHARMM residue codes
• POPE-nowater-charmm.pdb - lipids only version of POPE.pdb with four-letter CHARMM residue codes
• POPC-nowater-amber.pdb - lipids only version of POPC.pdb with four-letter AMBER residue codes (from charmmlipid2amber.csv)
• POPE-nowater-amber.pdb - lipids only version of POPE.pdb with four-letter AMBER residue codes (from charmmlipid2amber.csv)
• POPC-amber.pdb - POPC.pdb with four-letter AMBER residue codes (from charmmlipid2amber.csv)
• POPE-amber.pdb - POPE.pdb with four-letter AMBER residue codes (from charmmlipid2amber.csv)
• charmmlipid2amber.csv - from AmberTools