trajectory 67 ice nucleus in supercooled water tip4p/ice
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Gromacs MD trajectories of the evolution of ice nuclei in supercooled water with the tip4p/ice model. Also included center of mass of the nucleus (length units in nm) in long range corrections to the pressure (in bar).
本数据集包含采用tip4p/ice水模型的过冷水中冰核演化的GROMACS分子动力学(Molecular Dynamics,MD)轨迹。此外,数据集还收录了用于压强长程校正(单位:巴)的冰核质心数据,其长度单位为纳米(nm)。
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Zenodo创建时间:
2023-04-07



