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

<p>PSF, single CRD file, and XTC format trajectories for the final 200 ns of triplicate POPC simulations, from the publication</p> <p><strong>Drude Polarizable Lipid Force Field with Explicit Treatment of LongRange Dispersion: Parametrization and Validation for Saturated and Monounsaturated Zwitterionic Lipids</strong><br> Yalun Yu, Richard M. Venable, Jonathan Thirman, Payal Chatterjee, Anmol Kumar, Richard W. Pastor,*<br> Beno&icirc;t Roux,* Alexander D. MacKerell, Jr.,* and Jeffery B. Klauda*</p> <p>&nbsp;https://doi.org/10.1021/acs.jctc.3c00203</p> <p>XTC file names indicate the lipid and the replica number;&nbsp;each file has frames spaced at 10 ps over a 200 ns interval.</p> <p>The DCD sub-files in<span> 10.5281/zenodo.7871949 have been concatenated into a single 200 ns long trajectory in xtc format by Batuhan Kav using MDAnalysis.</span></p>