[gmx-users] Gromos43A1-S3 lipid parameters

[Kukol, Andreas]

Hello Venkat,

You can use Gromos96 53a6 lipid parameters for DPPC, DMPC, POPC and POPG with the Gromos96 53a6 force field. 

They can be downloaded from here:
https://sites.google.com/site/bioherts/home/lipid-topologies

Reference:
Kukol, A., 2009. Lipid models for united-atom molecular dynamics simulations of proteins. J. Chem. Theor. Comput., 5(3), 615-626.

Andreas

> -----Original Message-----
> From: gmx-users-bounces at gromacs.org [mailto:gmx-users-
> bounces at gromacs.org] On Behalf Of Justin Lemkul
> Sent: 28 February 2013 13:51
> To: Discussion list for GROMACS users
> Subject: Re: [gmx-users] Gromos43A1-S3 lipid parameters
> 
> 
> 
> On 2/28/13 2:16 AM, Venkat Reddy wrote:
> > Dear all,
> > Can I use Gromos43A1-S3 lipid parameters provided in the GROMACS site
> > along with the GROMOS53a6 forcefield in the same manner as Justin has
> > explained in his KALP15 tutorial?
> >
> 
> It's probably more sensible to use 43A1, since that's the basis for the 43A1-S3
> lipids.
> 
> -Justin
> 
> --
> ========================================
> 
> Justin A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
> 
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