Martini Force field

User discussions
1

GROMACS version:5.1.4
GROMACS modification: Yes/No

Hi all

I am familiar with all atom simulation and recently started coarse grain model I have two questions:

1- in the all-atom simulation, we add a force field file in the topology file, and in coarse grain, we added a martini.itp file, I saw this file but I did not found bonded parameters I saw only atom types and nonbound parameters Don’t the beads bind to each other?

2- is it possible to combine all atom with coasre grain?

Thanks in advance for your answer

Best regards
Azadeh

2

Hi,

Martini is force field-based CG model. That means that the topology file format is very similar to the one used for atomistic force field .
Regarding details on the force field files for MARTINI I suggest to look at the MARTINI web site. http://cgmartini.nl/

Concerning your second question: different approaches have been developed to combine all atoms and CG model, but the two models should be compatible and interface potential has to be developed and validated. One can not arbitrary combine a all atom model with a CG model.

Best regards
Alessandra