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Force field parameters from Lipidbook
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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:    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/92.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.
 
dppc.gro                  : 0d88296813d74c58b9f5a24d0f84e3ef9695d5a8
dppc.itp                  : 99c89ed4993dfe8c18b637386cf3b6b47804adbc
dppc.pdb                  : 356c4d22e218fce7cfaf6a831c6bc3ee1876f98a
dppc_structure.gro        : df6902e31642f335569e12266d96afa9d4423d11
dppc_structure.pdb        : 200fc407244c677289d1fb4d411706e0038d4eac
ffG43A1-S3.02.itp         : e9dce266afc5dd7713aeaa44c4c77a4e7311405d
links.txt                 : 8ed2faa1576e43bf301b272d032e9ef2d148c912
SHA1 of all files         : 2bfb82fa4057237625a9e54362ad33cd7c8a3cf8

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:  
           -

Title:     Cholesterol packing around lipids with saturated and unsaturated chains: a simulation study.
Authors:   Pandit SA, Chiu SW, Jakobsson E, Grama A, Scott HL
Journal:   Langmuir  
Year:      2008 Jun 1
Volume:    24
Page:      6858-65
pubmed id: 18517226
doi:       10.1021/la8004135

Additional notes:  
           -

Title:     Structure of sphingomyelin bilayers: a simulation study.
Authors:   Chiu SW, Vasudevan S, Jakobsson E, Mashl RJ, Scott HL
Journal:   Biophys J  
Year:      2003 Dec
Volume:    85
Page:      3624-35
pubmed id: 14645055
doi:       10.1016/S0006-3495(03)74780-8

Additional notes:  
           -