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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