OpenMM simulations of DMPC using the CHARMM Drude2023 force field

<p>The&nbsp;dataset contains a PSF, a formatted coordinate file (CRD), and DCD files with the final 200 ns from<br> each of 3 replicate simulations from the paper</p> <p><br> <strong>Drude Polarizable Lipid Force Field with Explicit Treatment of LongRange Dispersion:<br> 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*<br> https://doi.org/10.1021/acs.jctc.3c00203</p> <p>DCD file names indicate the lipid, replica number, and the time point of the final coordinate set in the file&nbsp; Each file has 50 ns of data, with coordinate sets spaced at 10 ps between frames.</p>