[gmx-users] Arbitary small molecule for Martini force field

[H T]

Dear all,

I tried Martini force field and found it calculates with a good result in 
appearance
for a *specific* calculation prepared at the Martini website.

Now, I wish to use another small molecule (such as lipid) for CG simulation.
Starting from the chemical structure, I draw it with MarvinSketch
and save as pdb. After this I want to make a .gro file and .itp file
which is compatible for Martini force field. Can u give me instruction
for that? Or need  (or find if possible) experimental data to tune the
parameter? For my simulation the atomic simulation leads to
segmentation fault (Memory: 2GB) and i feel the CG is necessary.

Else if Martini is not useful for more general calculation,
let me know the alternative approach for CG calculation
with GROMACS.

taka
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