128 lipid bilayer (64:64) hydrated with 5000 TIP3P waters. Equilibrated for 100 ns and simulated for 200 ns at 300K. Full input and output from: https://github.com/PEFrankel/OpenFF_Bilayer. Parameters

Zenodo2023-12-05 更新40

Evaluation of the OPLS-AA Force Field for the Study of Structural and Energetic Aspects of Molecular Organic Crystals

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Motivated by the need for reliable experimental data for the assessment of theoretical predictions, this work proposes a data set of enthalpies of sublimation determined for specific crystalline struc

Figshare2016-02-13 更新30

POPC Sage 2.2.1-core-priors

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