ThreeParticleAverageSite
¶

class ThreeParticleAverageSite : public OpenMM::VirtualSite¶
This is a VirtualSite that computes the particle location as a weighted average of three other particle’s locations. This means the virtual site is in the plane of the three particles.
Public Functions

ThreeParticleAverageSite(int particle1, int particle2, int particle3, double weight1, double weight2, double weight3)¶
Create a new ThreeParticleAverageSite virtual site. Normally the weights should add up to 1, although this is not strictly required.
 Parameters
particle1 – the index of the first particle
particle2 – the index of the second particle
particle3 – the index of the third particle
weight1 – the weight factor (typically between 0 and 1) for the first particle
weight2 – the weight factor (typically between 0 and 1) for the second particle
weight3 – the weight factor (typically between 0 and 1) for the third particle

double getWeight(int particle) const¶
Get the weight factor used for a particle this virtual site depends on.
 Parameters
particle – the particle to get (between 0 and getNumParticles())
 Returns
the weight factor used for that particle

ThreeParticleAverageSite(int particle1, int particle2, int particle3, double weight1, double weight2, double weight3)¶