All-atomic simulation of DMPC bilayer with PME and with RFZ
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We have performed simulations of DMPC to check if the <strong>reaction-field-zero</strong> mode of calculating electrostatics is a good substitute for PME if we want to avoid PME for some reasons (e.g. for stress calculations). We started this simulation from the configuration deposited by Matti Javanainen (10.5281/zenodo.6943413). We performed two simulations of about 500 ns with the same protocol but at 313 K. Protocol for reaction-field-zero is supplemented as well. POPE simulated with the same RFZ protocol is deposited in a separate dataset (10.5281/zenodo.8435138).
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Zenodo创建时间：
2023-10-12
