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

xuji xuji at home.ipe.ac.cn
Sun Oct 19 10:47:30 CEST 2008

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 ]

[ 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!

More information about the gromacs.org_gmx-users mailing list