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A \u201cbottom-up\u201d decomposition of C10<\/jats:sub>E4<\/jats:sub> into the smallest fragment molecules (particles) that satisfy chemical intuition leads to convincing simulation results which agree with experimental findings for bilayer formation and thickness. For integration of the equations of motion Shardlow\u2019s S1 scheme proves to be a favorable choice with best overall performance. Increasing the integration time steps above the common setting of 0.04 DPD units leads to increasingly unphysical temperature drifts, but also to increasingly rapid formation of bilayer superstructures without significantly distorted particle distributions up to an integration time step of 0.12. A scaling of the mutual particle\u2013particle repulsions that guide the dynamics has negligible influence within a considerable range of values but exhibits apparent lower thresholds beyond which a simulation fails. Repulsion parameter scaling and molecular particle decomposition show a mutual dependence. For mapping of concentrations to molecule numbers in the simulation box particle volume scaling should be taken into account. A repulsion parameter morphing investigation suggests to not overstretch repulsion parameter accuracy considerations.<\/jats:p>","DOI":"10.1186\/s13321-023-00697-w","type":"journal-article","created":{"date-parts":[[2023,2,19]],"date-time":"2023-02-19T10:06:31Z","timestamp":1676801191000},"update-policy":"http:\/\/dx.doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Notes on molecular fragmentation and parameter settings for a dissipative particle dynamics study of a C10E4\/water mixture with lamellar bilayer formation"],"prefix":"10.1186","volume":"15","author":[{"given":"Felix","family":"B\u00e4nsch","sequence":"first","affiliation":[]},{"given":"Christoph","family":"Steinbeck","sequence":"additional","affiliation":[]},{"given":"Achim","family":"Zielesny","sequence":"additional","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2023,2,19]]},"reference":[{"issue":"3","key":"697_CR1","doi-asserted-by":"publisher","first-page":"155","DOI":"10.1209\/0295-5075\/19\/3\/001","volume":"19","author":"PJ Hoogerbrugge","year":"1992","unstructured":"Hoogerbrugge PJ, Koelman JMVA (1992) Simulating microscopic hydrodynamic phenomena with dissipative particle dynamics. 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