Constarium
← Search

Text · dataset · 2015

MD simulation trajectory and related files for POPC bilayer, Högberg et al parameters (J.Comp.Chem., 29, 2359 (2008))

Listed in Zenodo

Description

MD simulation trajectory and related files for POPC bilayer, A.L.Rabinovich, A.P.Lyubartsev, Journal of Physics: Conference series, 510, 012022 (2014) 20 ns( excluded) + 80 ns trajectory T=303K, 128 lipids + 3840 H2O Force field: from Högberg et al, J.Comp.Chem., 29, 2359 (2008) Software: MDynaMix v 5.2 Relevant files: md.input : main MD input file 160181_pc.mmol : lipid topology/force field file H2O.mmol : SPC water ord_160181.in : Input for the analysis utility to extract order parameters Trajectory: 160181_pc_mem.102 - 160181_pc_mem.501 - trajectory files, 200 frames / 200 ps in each

Links

Get the data

Where it is published

Catalogue records · 1

Topics

Inferred from text
Simulation 75%
Provenance · 1 source records, 9 field assertions
SourceKeyLast seenRaw
Zenodo1672412 d agoJSON v1
FieldAssertionExtractorEvidence
access_levelsource · Zenodoconnector:zenodo@1.0.0/metadata/access_right
byte_sizesource · Zenodoconnector:zenodo@1.0.0
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
license_textsource · Zenodoconnector:zenodo@1.0.0
publication_datesource · Zenodoconnector:zenodo@1.0.0
titlesource · Zenodoconnector:zenodo@1.0.0/metadata/title
updated_datesource · Zenodoconnector:zenodo@1.0.0