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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:         18:0 SM (d18:1/18:0) N-stearoyl-D-erythro-sphingosylphosphorylcholine (SMGL)
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/97.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.
 
ffG43A1-S3.02.itp         : e9dce266afc5dd7713aeaa44c4c77a4e7311405d
links.txt                 : 67da6f91c714aca364ca3b631686e914e914db70
sgml.gro                  : 3f8607d53cc170b5625af7336b3ff3cc120df4f2
sgml.itp                  : 0646aacbbb26d739bf3d644e1a38a15a54608a11
sgml.pdb                  : e1bdf7e6071492d16cf3b0b2fa29255107b53007
sgml_structure.gro        : 3727f09e41292a067d5d7328036afb06901a2e8b
sgml_structure.pdb        : 8da6a8269a9719374a3a1d1b7737469c827d7c30
SHA1 of all files         : 4c3958f9b687d678ed45e8a4c863d9d76fcc32ec

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:     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:  
           -

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:  
           -