normal MARTINI vs. Force Matching

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2 years 7 months ago #5785 by dariush
MARTINI vs. Force Matching was created by dariush
Hello,

Can anyone compare MARTINI and Force Matching approaches? What are the limitations of the force matching approach, which may not be constraints for Martini?

Thanks,
Dariush

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2 years 7 months ago - 2 years 7 months ago #5796 by mnmelo
Replied by mnmelo on topic MARTINI vs. Force Matching
Hi Dariush,

For one — and I expect more people to come up with other differences — the parameterization targets are very different:

- with Martini you can expect accurate polar/apolar partitioning behavior, and in the case of solvents the parameter space usually allows for also getting a correct density. This comes at the expense of local structure, which in Martini can be somewhat over-ordered.

- in force-matched or inverted-potential approaches structure is often better preserved, but usually at a cost of accuracy in thermodynamic properties such as density or partitioning behavior.

Cheers,
Manel
Last edit: 2 years 7 months ago by mnmelo.

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2 years 6 months ago #5833 by xavier
Replied by xavier on topic MARTINI vs. Force Matching
The main difference is Martini targets thermodynamics data (partitioning) in addition of structure, while force matching will focus primarily on structure data. Two different severely approaches. By essence and its main strength, Martini is easily transferable ...

You should get a few papers/reviews describing coarse graining approaches to find more detailed answers.

XA+

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