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Data · dataset · 2015

MD simulation trajectory and related files for POPC bilayer in low hydration (Berger model delivered by Tieleman, Gromacs 4.5)

Listed in Zenodo

Description

Equilibrated POPC lipid bilayer simulation in low hydration (7 water per lipid molecule) ran with Gromacs 4.5, Berger force field delivered by Peter Tieleman (wcm.ucalgary.ca/tieleman/downloads) with fixed double bond dihedrals, 60ns, T=298K, 128 POPC molecules, 896 water molecules. This data is used in the nmrlipids.blospot.fi project. More details from nmrlipids.blospot.fi and github.com/NMRLipids/nmrlipids.blogspot.fi.

If data is used, please cite the nmrlipids.blogspot.fi project and the original publications related to the force field.

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Inferred from text
Simulation 75%
Provenance · 1 source records, 9 field assertions
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concepts[method].local:method:simulationenrichment · Zenodokeyword-concept-rules@1.0.0title+description (75%)
created_datesource · Zenodoconnector:zenodo@1.0.0
descriptionsource · Zenodoconnector:zenodo@1.0.0/metadata/description
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updated_datesource · Zenodoconnector:zenodo@1.0.0