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tsoc
openmm
Commits
ef4e38b9
Commit
ef4e38b9
authored
Oct 17, 2016
by
John Chodera (MSKCC)
Browse files
Fix API docs
parent
8ae2ee1b
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openmmapi/include/openmm/CustomCompoundBondForce.h
openmmapi/include/openmm/CustomCompoundBondForce.h
+1
-2
openmmapi/include/openmm/CustomTorsionForce.h
openmmapi/include/openmm/CustomTorsionForce.h
+3
-3
No files found.
openmmapi/include/openmm/CustomCompoundBondForce.h
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ef4e38b9
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@@ -57,8 +57,7 @@ namespace OpenMM {
* <li>distance(p1, p2): the distance between particles p1 and p2 (where "p1" and "p2" may be replaced by the names
* of whichever particles you want to calculate the distance between).</li>
* <li>angle(p1, p2, p3): the angle formed by the three specified particles.</li>
* <li>dihedral(p1, p2, p3, p4): the dihedral angle formed by the four specified particles, in radians, guaranteed
* to be in the range [-pi,+pi].</li>
* <li>dihedral(p1, p2, p3, p4): the dihedral angle formed by the four specified particles, guaranteed to be in the range [-pi,+pi].</li>
* </ul>
*
* The expression also may involve tabulated functions, and may depend on arbitrary
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openmmapi/include/openmm/CustomTorsionForce.h
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ef4e38b9
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@@ -52,6 +52,7 @@ namespace OpenMM {
* part of the system definition, while values of global parameters may be modified during a simulation by calling Context::setParameter().
* Finally, call addTorsion() once for each torsion. After an torsion has been added, you can modify its parameters by calling setTorsionParameters().
* This will have no effect on Contexts that already exist unless you call updateParametersInContext().
* theta is guaranteed to be in the range [-pi,+pi]
*
* As an example, the following code creates a CustomTorsionForce that implements a harmonic potential:
*
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@@ -69,9 +70,8 @@ namespace OpenMM {
* computed. You can then query its value in a Context by calling getState() on it.
*
* Expressions may involve the operators + (add), - (subtract), * (multiply), / (divide), and ^ (power), and the following
* functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.
* All trigonometric functions are defined in radians, with the torsion `theta` guranteed to be in the range [-pi,+pi].
* log is the natural logarithm. step(x) = 0 if x is less than 0, 1 otherwise. delta(x) = 1 if x is 0, 0 otherwise.
* functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select. All trigonometric functions
* are defined in radians, and log is the natural logarithm. step(x) = 0 if x is less than 0, 1 otherwise. delta(x) = 1 if x is 0, 0 otherwise.
* select(x,y,z) = z if x = 0, y otherwise.
*/
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