VirtualSite

class OpenMM::VirtualSite

A VirtualSite describes the rules for computing a particle’s position based on other particles. This is an abstract class. Subclasses define particular rules. To define a virtual site, create an instance of a VirtualSite subclass and then call setVirtualSite() on the System.

Methods

~VirtualSite
getNumParticles	Get the number of particles this virtual site depends on.
getParticle	Get the index of a particle this virtual site depends on.

~VirtualSite()

int getNumParticles() const

Get the number of particles this virtual site depends on.

int getParticle(int particle) const

Get the index of a particle this virtual site depends on.

Parameters

• particle – the particle to get (between 0 and getNumParticles())

Returns

the index of the particle in the System