TwoParticleAverageSite
¶

class TwoParticleAverageSite : public OpenMM::VirtualSite¶
This is a VirtualSite that computes the particle location as a weighted average of two other particle’s locations. This means the virtual site is on the line passing through the two particles.
Public Functions

TwoParticleAverageSite(int particle1, int particle2, double weight1, double weight2)¶
Create a new TwoParticleAverageSite virtual site. Normally weight1 and weight2 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
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

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

TwoParticleAverageSite(int particle1, int particle2, double weight1, double weight2)¶