[gmx-users] How can I generate a Input *.gro file of coarse grain model?

[Justin A. Lemkul]

There are scripts provided on the MARTINI site to generate the necessary 
structure files, and the topology, IIRC.

-Justin

xuji wrote:
> Dear all gromacs users:
> 
> I am trying to use the MARTINI CG force field from Marrink et al. in my simulation. 
> But I don't konw how to generate the input *.gro files.
> When I use all-atom model, in gromacs I can use "genbox" "editconf" et al to generate
> the input *.gro files. For example, I can use "genbox -cs -box 10 10 10 -o waterbox.gro"
> to generate pure water box. But if I only have the files downloaded from 
> "http://md.chem.rug.nl/~marrink/MARTINI/Parameters.html" , and I use a *.top file 
> which contains:
> 
> #include "martini_v2.0.itp"
> #include "martini_v2.0_lipids.itp"
> 
> [ system ]
> DPPC BILAYER 
> 
> [ molecules ]
> DPPC 128
> W 2000
> 
> Can I generate a *.gro file according to this topology file using Gromacs' tools?
> If can, how do it?
> 
> Appreciate any help in advance!
> 
> 
> 
> 
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-- 
========================================

Justin A. Lemkul
Graduate Research Assistant
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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