Re: [modeller_usage] Ca-Ca restraints

On 4/20/20 1:31 AM, Mariana GONZALEZ MEDINA wrote: > I understand now, I was only taking into account Ca-Ca distances for > which the mathematical from was a Gaussian but if I use multiple > templates the restraint becomes multimodal and the from is a spline. If > I were to plot the distances with a gaussian from I would be plotting > the probability density and the distance values. What are the values > that I get for the spline?

It is exactly the same for a multimodal restraint - it is a probability density on the distance. A cubic spline is used because it is faster to evaluate than multiple Gaussians.

Ben Webb, Modeller Caretaker