1-palmitoyl,2-oleoyl-sn-glycero-3-phosphocholine

OPLS Gromacs by XYZ

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Lipid 1-palmitoyl,2-oleoyl-sn-glycero-3-phosphocholine (POPC)
Pubchem CID:5497103
Forcefield OPLS
Code Gromacs
Authors Jakob P. Ulmschneider and Martin B. Ulmschneider
Licence fair use
Curator Martin Ulmschneider
Abstract

OPLS-UA lipids consistent with the OPLS-AA force field.


Please cite: J.P. Ulmschneider & M.B. Ulmschneider, United Atom Lipid Parameters for Combination with the Optimized Potentials for Liquid Simulations All-Atom Force Field, JCTC 2009, 5(7), 1803–1813

References

Jakob P. Ulmschneider and Martin B. Ulmschneider, United Atom Lipid Parameters for Combination with the Optimized Potentials for Liquid Simulations All-Atom Force Field, J Chem Theory Computation 5 (2009), 1803–1813, doi: 10.1021/ct900086b, [no pubmed id]
Primary Experimental

Versions

Version 1
Topology
128-popc.top 54448f0f70ec332b29a059217637d85792350964
Parameters
popc_opls.itp 3358b5c835eae47ed599e0743a3621e6ac5702e4
opls-ua-lipid-atomtypes.itp 6478a31753df68961d77a9d977254ed9783e5e2e
PDB structure
Bilayer structure
128-popc-eq.pdb 8d55b4d96813278c0b66d6b54ea427948aad71ce