[gmx-users] RE: .rtp libraries
Esteban Gabriel Vega Hissi
egvega at gmail.com
Thu May 13 12:35:21 CEST 2010
Is it possible for you to post the link to the articles you read about
mitochondrial simulations and the 200 membrane lipids?
Thanks in advance
On Thu, May 13, 2010 at 12:00 PM, lloyd riggs <lloyd.riggs at gmx.ch> wrote:
> Dear All,
> I recentlly started using Gromacs again. I was just woundering if anyone
> had some .rtp libraries available to add on to the software, or for VMD.
> I am particularly interested in lipid .rtp libraries hopefully for
> something that has all-atom force fields, as I personally believe
> simulations should be as real as possible, and also believe non-polar
> hydrogens still illicite some force in the overall scheme of the molecular
> simulation. As most lipid systems in cells are insanly complec, many lipid
> types in many proportions and chain lengths, etc... I woundered if somone(s)
> has already constructed a library with the 200 or so outer membrane lipids.
> I did read years back about mitochondrial simulations, which did include
> dozens of lipids, even cardiolipin, etc...but never found libraries.
> In addition, and other add on libraries which may be trusted, or based on
> empirical data would be greattly appriciated.
> I personally was just going to add them into the .rtp libraries (of which
> they are compatible) if anyone has them available.
> Happy Ascention
> Stephen Watkins
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