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tsoc
openmm
Commits
40974a96
Commit
40974a96
authored
Mar 14, 2017
by
jchodera
Browse files
Change problematic example for CustomTorsionForce
parent
6bdf834a
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openmmapi/include/openmm/CustomTorsionForce.h
openmmapi/include/openmm/CustomTorsionForce.h
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openmmapi/include/openmm/CustomTorsionForce.h
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40974a96
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@@ -54,9 +54,9 @@ namespace OpenMM {
...
@@ -54,9 +54,9 @@ namespace OpenMM {
* This will have no effect on Contexts that already exist unless you call updateParametersInContext().
* This will have no effect on Contexts that already exist unless you call updateParametersInContext().
* theta is guaranteed to be in the range [-pi,+pi]
* theta is guaranteed to be in the range [-pi,+pi]
*
*
* As an example, the following code creates a CustomTorsionForce that implements a
harmon
ic potential:
* As an example, the following code creates a CustomTorsionForce that implements a
period
ic potential:
*
*
* <tt>CustomTorsionForce* force = new CustomTorsionForce("0.5*k*(theta-theta0)
^2
");</tt>
* <tt>CustomTorsionForce* force = new CustomTorsionForce("0.5*k*(
1-cos(
theta-theta0)
)
");</tt>
*
*
* This force depends on two parameters: the spring constant k and equilibrium angle theta0. The following code defines these parameters:
* This force depends on two parameters: the spring constant k and equilibrium angle theta0. The following code defines these parameters:
*
*
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