OpenMM simulations of POPE using the CHARMM Drude2023 force field in xtc format

The dataset contains a PSF, a formatted coordinate file (CRD), and XTC files with the final 200 ns from
each of 3 replicate simulations from the paper

Drude Polarizable Lipid Force Field with Explicit Treatment of LongRange Dispersion:
Parametrization and Validation for Saturated and Monounsaturated Zwitterionic Lipids
Yalun Yu, Richard M. Venable, Jonathan Thirman, Payal Chatterjee, Anmol Kumar, Richard W. Pastor,*
Benoît Roux,* Alexander D. MacKerell, Jr.,* and Jeffery B. Klauda*
https://doi.org/10.1021/acs.jctc.3c00203

XTC file names indicate the lipid and the replica number; each file has frames spaced at 10 ps over a 200 ns interval.

The DCD sub-files in 10.5281/zenodo.7872447 have been concatenated into a single 200 ns long trajectory in xtc format by Batuhan Kav using MDAnalysis.