===================================== Force field parameters from Lipidbook ===================================== Parameter files in this zip file were downloaded from lipidbook.bioch.ox.ac.uk. Linked parameters need to be manually downloaded via the links in links.txt. Always cite the primary reference(s) for the parameters, which can be found at the end of this file. Please cite Lipidbook in your published work with the reference J. Domanski, P. Stansfeld, M.S.P. Sansom, and O. Beckstein. Lipidbook: A Public Repository for Force Field Parameters Used in Membrane Simulations. J. Membrane Biol. 236 (2010), 255--258. doi:10.1007/s00232-010-9296-8. URL:http://lipidbook.bioch.ox.ac.uk License: Fair Use (http://www.copyrightservice.co.uk/copyright/p09_fair_use) NOTE: The licence REQUIRES that you cite the primary reference when you use and/or modify these files. See the link under Licence for details. Overview ======== Lipid: 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) Forcefield: GROMOS53a6 Code: Gromacs Version: 1 (created: 31-08-2009, last update: 31-08-2009) Curator: Andreas Kukol Lipidbook URL: http://lipidbook.bioch.ox.ac.uk/version/show/id/24.html File manifest ============= Downloaded files are listed with SHA1 checksums. You can compute the checksums of the downloaded files (e.g. with the 'openssl sha1' or the 'sha1sum' commands) and compare them to the listed ones. If they agree you have verified the files; it also allows a simple check of which files changed between versions. dppc128_40ns.pdb : ee848a0f7d6e4ff366074419d669191aec803ec1 dppc_53a6.itp : cd2bbeee40b8cd1cda9ad74d14fc29bacf4b4ac3 SHA1 of all files : 480f18c96d97a3cabd546d92ace9606d969f6011 Primary reference(s) =================== Please always credit the original authors of the parameters by citing these papers: Title: Lipid Models for United-Atom Molecular Dynamics Simulations of Proteins Authors: A Kukol Journal: J Chem Theory Comput Year: 2009 Volume: 5 Page: 615–626 pubmed id: doi: 10.1021/ct8003468 Additional notes: -