===================================== 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-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) Forcefield: GROMOS43A1-S3 Code: Gromacs Version: 1 (created: 01-06-2012, last update: 01-06-2012) Curator: Oliver Beckstein Lipidbook URL: http://lipidbook.bioch.ox.ac.uk/version/show/id/90.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. dmpc.gro : 49f7c8b4779af3324def0b93252cc156b66cc793 dmpc.itp : 0a6e83462a67058781f7ccd8e5875f4d9f949f94 dmpc.pdb : 2febacd6d43809ebc4e3b0a7132c56fcf4f61785 dmpc_structure.gro : 75191634a8720f5909ca1f549a810edd91a5db12 dmpc_structure.pdb : 8c5c186106f6acda6b1c354b8c842347bca182b9 ffG43A1-S3.02.itp : e9dce266afc5dd7713aeaa44c4c77a4e7311405d links.txt : 082cef11cbb932c1c8022f426ad3126b30aa82af SHA1 of all files : bb092fe7618d468c821e45753457ad5c0e80ca94 Primary reference(s) =================== Please always credit the original authors of the parameters by citing these papers: Title: An improved united atom force field for simulation of mixed lipid bilayers. Authors: Chiu SW, Pandit SA, Scott HL, Jakobsson E Journal: J Phys Chem B Year: 2009 Mar 5 Volume: 113 Page: 2748-63 pubmed id: 19708111 doi: 10.1021/jp807056c Additional notes: -