Re: [AMBER] Lipid bilayer coarse-grained simulations

From: Benjamin D Madej <bmadej.ucsd.edu>
Date: Wed, 5 Sep 2012 15:42:33 +0000

Hello Bharath Srikanth,

For your information, Lipid11 is an all-atom force field for lipid simulations. Primarily, it was developed for lipid bilayers simulations. There's a description available in the AmberTools 12 manual, and the paper will be available soon.

What kind of system are you interested in simulating? If you have an appropriate system, you may want to consider using the GPU-accelerated version of pmemd with the Lipid11 force field. See the benchmarks at http://ambermd.org/gpus/benchmarks.htm . Lipid11 has been developed to be compatible with the other pairwise additive Amber force fields and is still under development by several groups including our lab.

Feel free to send us any questions or comments about your system,
Ben Madej
Walker Molecular Dynamics Lab
________________________________________
From: jojartb.jgypk.u-szeged.hu [jojartb.jgypk.u-szeged.hu]
Sent: Sunday, September 02, 2012 11:10 AM
To: AMBER Mailing List
Subject: Re: [AMBER] Lipid bilayer coarse-grained simulations

Hello,
Look at this homepage:
http://md.chem.rug.nl/cgmartini/index.php/home
HTH,
Balazs


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Received on Wed Sep 05 2012 - 09:00:05 PDT
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