OutOfPlaneSite¶

class
OpenMM::
OutOfPlaneSite
¶ This is a
VirtualSite
that computes the particle location based on three other particles’ locations. If r_{1} is the location of particle 1, r_{12} is the vector from particle 1 to particle 2, and r_{13} is the vector from particle 1 to particle 3, then the virtual site location is given byr_{1} + w_{12} r_{12} + w_{13} r_{13} + w_{cross} (r_{12} x r_{13} )
The three weight factors are userspecified. This allows the virtual site location to be out of the plane of the three particles.
Methods
OutOfPlaneSite
Create a new OutOfPlaneSite
virtual site.getWeight12
Get the weight factor for the vector from particle1 to particle2. getWeight13
Get the weight factor for the vector from particle1 to particle3. getWeightCross
Get the weight factor for the cross product. 
OutOfPlaneSite
(int particle1, int particle2, int particle3, double weight12, double weight13, double weightCross)¶ Create a new
OutOfPlaneSite()
virtual site.Parameters:  particle1 – the index of the first particle
 particle2 – the index of the second particle
 particle3 – the index of the third particle
 weight12 – the weight factor for the vector from particle1 to particle2
 weight13 – the weight factor for the vector from particle1 to particle3
 weightCross – the weight factor for the cross product

double
getWeight12
() const¶ Get the weight factor for the vector from particle1 to particle2.

double
getWeight13
() const¶ Get the weight factor for the vector from particle1 to particle3.

double
getWeightCross
() const¶ Get the weight factor for the cross product.
