Structure file of capsid after energy minimization (7f-3.gro )

Nerukh, Dmitry and Tarasova, Elvira and Farafonov, Vladimir and Korotkin, Ivan and Karabasov, Sergey (2016) Structure file of capsid after energy minimization (7f-3.gro ). [Data Collection]

Collection Method

Dataset underlying publication titled "Two-phase flow analogy as an effective boundary condition for modelling liquids at atomistic resolution"


Type of Data: Text
Divisions: Engineering and Applied Science > Non-Linearity and Complexity Research Group
Data Publisher: Aston University
Funders: Engineering and Physical Sciences Research Council, Royal Society of London, Royal Society of Chemistry, Royal Academy of Engineering, Leverhulme Trust
Projects: G8 Multilateral Research Funding INGENIOUS
Grant number: EP/J004308/1
Keywords: hybrid atomistic/continuum, multiscale, molecular dynamics, fluctuating hydrodynamics, dialanine, all-atom whole virus simulation, capsid, PCV2
Geographic coverage: Birmingham, United Kingdom
Statement on legal, ethical and access issues: There are no legal or ethical issues regarding this dataset. Dataset is too large to be stored on this repository and can only be accessed by making a formal request to
Date Made Available: 24 March 2016
Date Type: Publication
Collection period:
8 June 20159 June 2015
Identification Number: 10.17036/593f88a1-14dd-46fe-b12c-1132ca000c6a
Publication URL:


Available under License Creative Commons Attribution.

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