Published October 12, 2023
| Version v1
Dataset
Open
All-atomic simulation of POPE bilayer with RFZ
Description
We have performed simulations of POPE to check if the reaction-field-zero 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.2641987). We performed the simulation of about 500 ns with the reaction-field-zero protocol supplemented as well. DMPC simulated with the same RFZ protocol is deposited in a separate dataset (10.5281/zenodo.8431709).
Files
charmm36-jul2022-forcefield.zip
Files
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Additional details
Related works
- Cites
- Dataset: 10.5281/zenodo.8431709 (DOI)
- Dataset: 10.5281/zenodo.2641987 (DOI)