Description
THIS IS UNCORRUPTED TRAJECTORY RELATED TO THIS DATASET: http://dx.doi.org/10.5281/zenodo.34415
MD simulation trajectory and related files for fully hydrated POPC bilayer with 0.35M CaCl2. The LIPID14 force field was used with Gromacs 5.0.3. Ions were described by AMBER99SB-ILDN force field. Conditions: T=298.15, 128 POPC molecules, 6400 tip3p waters (lipid/water 1:50), 35 Ca, 70 Cl. 200ns trajectory (preceded by 5ns NPT equillibration) (2 files of 100ns).
This data is ran for the nmrlipids.blospot.fi project. More details from nmrlipids.blospot.fi and https://github.com/NMRLipids/nmrlipids.blogspot.fi
MD simulation trajectory and related files for fully hydrated POPC bilayer with 0.35M CaCl2. The LIPID14 force field was used with Gromacs 5.0.3. Ions were described by AMBER99SB-ILDN force field. Conditions: T=298.15, 128 POPC molecules, 6400 tip3p waters (lipid/water 1:50), 35 Ca, 70 Cl. 200ns trajectory (preceded by 5ns NPT equillibration) (2 files of 100ns).
This data is ran for the nmrlipids.blospot.fi project. More details from nmrlipids.blospot.fi and https://github.com/NMRLipids/nmrlipids.blogspot.fi
| Koska saatavilla | 18 helmik. 2016 |
|---|---|
| Julkaisija | Zenodo |
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