Published March 25, 2019
| Version v1
Dataset
Open
200 ns simulation of a DMPC bilayer using Gromos 53A6 + Berger lipids
Description
MD simulation of a DMPC bilayer: 200 ns
- 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.
Files
dmpc128-200ns-apl-fs.png
Files
(813.3 MB)
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