[gmx-users] RE: .rtp libraries

lloyd riggs lloyd.riggs at gmx.ch
Thu May 13 12:00:55 CEST 2010

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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