[gmx-users] Reconstruction of atomistic details from coarse-grained-structures

[James Starlight]

 Is it better than
http://md.chem.rug.nl/index.php/tutorials-general-introduction/others#Reverse-transformation
 7  PArticularly for my case I need to convert from CG to FG the
structure of GPCR simulated within CG lipids excluding lipids in the
final FG model.

2016-03-17 15:49 GMT+01:00  <carlos.navarro87 at gmail.com>:
> Hi James,
> There is a nice method (developed by Dr. Tsjerk A. Wassenaar) to reconstruct the atomistic structure from a CG structure.
> Here is the respective tutorial http://md.chem.rug.nl/index.php/tutorials-general-introduction/others#Backward (from the MARTINI group), and here is the paper of the back mapping method:
> http://pubs.acs.org/doi/abs/10.1021/ct400617g
> Hope this helps.
> Best,
> Carlos
> --
>
> Carlos Navarro Retamal
> Ingeniero en Bioinformática
> Ph. D (c) en Ciencias Aplicadas.
> Centro de Bioinformática y Simulación Molecular
> Universidad de Talca
> Av. Lircay S/N, Talca, Chile
> T: (+56) 712201 798
> E: carlos.navarro87 at gmail.com o cnavarro at utalca.cl
>
> On March 17, 2016 at 11:07:48 AM, James Starlight (jmsstarlight at gmail.com) wrote:
>
> Dear Gromacs users!
>
> I wonder to ask for some suggestions about possibility of the CG to
> full atomistic conversion of sample pdb files extracted from the CG
> (Martini based) md trajectories. I will be especially thankful for any
> kind of the useful tutorial focused on the subject.
>
> Thanks for help in advance!
>
> J.
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