gauss function

[h-kaede]

Hi, I don't know to interpret the gaussian term of the score function.

• What is the difference between the two Gaussian terms？
• How did you determine the constants of the gaussian function?
• Is there a paper that has a rationale for the gaussian term of the score function?

Thank you.

[diogomart]

Hi,

The sum of Gauss1 + Gauss2 + Repulsion is a vdW potential. Gauss2 is weird because it is very long range. The Vinardo paper is a good read on this topic.

[h-kaede]

Hi, I understand that the constants of the Gaussian function are empirically determined. Is it correct?

Thank you.

[diogomart]

Yes, that's correct.

[h-kaede]

Thank you so much.