MD simulation of POPC bilayer using a force field calibrated to NMR order parameters
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https://zenodo.org/record/11242582
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资源简介：
Force field parameters and simulation trajectory for 34-lipid bilayer simulation where the force field has been calibrated to reproduce the NMR C-H 13C order parameters. Temperature is 300K, and simulation was conducted in NPT ensemble with asymmetric pressure coupling. The trajectory is 1 microsecond long. The simulation was started from an equilibrated conformation and few tens of nanoseconds of pre-equilibration was run before obtaining the 1 microsecond production run. The trajectory has been centered to the simulation box. The simulations where conducted on GROMACS 2020 (GPU).
创建时间：
2024-05-23
