200 ns simulation of a DMPC bilayer using Gromos 53A6 + Berger lipids
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<strong>MD simulation of a DMPC bilayer: 200 ns </strong> Gromos 53A6 force field and Berger lipids (lipid.itp) 128 DMPC lipids and 3655 SPC waters. Total number of atoms: 16853. This simulation: 200 ns. The systems was equilibrated for 52 ns before this run. Simulation details: Temperature: 323 K Times step: 2 fs V-rescale thermostat, Parrinello-Rahman barostat, P-LINCS for constraints The run was done using a laptop with GTX980M. Performance: ~105ns/day Area per lipid and thickness (P-P distance) are provided.
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Zenodo创建时间：
2019-03-25
