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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-dioleoyl-sn-glycero-3-phosphocholine (DOPC)
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/91.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.
 
dopc.gro                  : 9505d6e70408cad42d51d7585df815492dc1058f
dopc.itp                  : 63d5fe022360a7c6621540f0a0de3f417ca4412f
dopc.pdb                  : a969fe05310c507e95f0a2a3574c6786b96a15b5
dopc_structure.gro        : f19bc74054b1f3035f19b8998aa259400b28bf93
dopc_structure.pdb        : 9797aa6e34f9308ac99e1cf309f8cf5095a639c1
ffG43A1-S3.02.itp         : e9dce266afc5dd7713aeaa44c4c77a4e7311405d
links.txt                 : 89f6ac0a64a03d82791b6f4b04fde69adc8ed2c1
SHA1 of all files         : 4abd1324c7ed72ddaecdc9fea60ec21978b428c2

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:     Sphingomyelin-cholesterol domains in phospholipid membranes: atomistic simulation.
Authors:   Pandit SA, Vasudevan S, Chiu SW, Mashl RJ, Jakobsson E, Scott HL
Journal:   Biophys J  
Year:      2004 Aug
Volume:    87
Page:      1092-100
pubmed id: 15298913
doi:       10.1529/biophysj.104.041939

Additional notes:  
           -