Dear Amir Hossein Saeedi Dehaghani ,

In general, force field are designed with the help of both quantum mechanics calculations and some experimental data followed by a series of tuning that assure the converegence of the simulated data to the experimental ones.

You can find many force fields that can be efficient in some applications but not accurate in other apllications.

So i suggest, especially if the material your are going to used is not used before in simulation, to test some forefield and check if the results are close to experimental data.

Checl this article for force fields applied to proteins Methods Mol Biol. 2015;1215:47-71. doi: 10.1007/978-1-4939-1465-4_3.

Best regards,

Joseph gerges

Dear Amir Hossein Saeedi Dehaghani ,

In general, force field are designed with the help of both quantum mechanics calculations and some experimental data followed by a series of tuning that assure the converegence of the simulated data to the experimental ones.

You can find many force fields that can be efficient in some applications but not accurate in other apllications.

So i suggest, especially if the material your are going to used is not used before in simulation, to test some forefield and check if the results are close to experimental data.

Checl this article for force fields applied to proteins Methods Mol Biol. 2015;1215:47-71. doi: 10.1007/978-1-4939-1465-4_3.

Best regards,

Joseph gerges

Dear,

Forcefields are derived from the quantum mechanical models. Most of these models deal with the position and motion of electrons and their corresponding densities. The forcefields are tuned according to the needs of the system. Also, different forcefields might result in different results and you have to predict which type of forcefield will give more accurate results in your case by reviewing previous articles related to the topic of interest.

Thanks