DPPC lipid bilayer simulation with CHARMM36-LJPME force field using OpenMM

DPPC lipid bilayer simulation (300 ns) with CHARMM36-LJPME force field using OpenMM at 323K. Used in https://doi.org/10.1021/acs.jctc.1c00951 The force field parameters were downloaded from https://terpconnect.umd.edu/%7Ejbklauda/ff.html. trajCORRECT1-2.dcd has incorrect timestamps. traj1-2.xtc has correct timestamps.<br>本数据集为基于DPPC脂质双层（DPPC lipid bilayer）的300 ns分子动力学模拟，采用CHARMM36-LJPME力场（CHARMM36-LJPME force field），通过OpenMM在323K温度下完成。该数据集相关研究见于https://doi.org/10.1021/acs.jctc.1c00951，所用力场参数下载自https://terpconnect.umd.edu/~jbklauda/ff.html。其中trajCORRECT1-2.dcd文件的时间戳存在错误，traj1-2.xtc文件的时间戳正确。