[gmx-users] Gromos43A1-S3 lipid parameters

[Venkat Reddy]

Thanks Justin and Kukol for the info.
Kukol, Can you please upload the cholesterol parameters also in the site
you provided, if you have??.


On Fri, Mar 1, 2013 at 2:02 PM, Kukol, Andreas <a.kukol at herts.ac.uk> wrote:

> 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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-- 
With Best Wishes
Venkat Reddy Chirasani
PhD student
Laboratory of Computational Biophysics
Department of Biotechnology
IIT Madras
Chennai
INDIA-600036