Unverified Commit 0fc91b77 authored by Will Poole's avatar Will Poole Committed by GitHub
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updated units in energy minimisation user guide (#4683)

* updated units in energy minimisation user guide

* Made units more readable
parent 693756ba
......@@ -1333,9 +1333,9 @@ specify if you want further control over the minimization. First, you can
specify a tolerance for when the energy should be considered to have converged:
::
simulation.minimizeEnergy(tolerance=5*kilojoule/mole)
simulation.minimizeEnergy(tolerance=5*kilojoule/mole/nanometer)
If you do not specify this parameter, a default tolerance of 10 kJ/mole is used.
If you do not specify this parameter, a default tolerance of 10 kilojoule/mole/nanometer is used.
Second, you can specify a maximum number of iterations:
::
......@@ -1350,7 +1350,7 @@ iterations it takes.
These options are independent. You can specify both if you want:
::
simulation.minimizeEnergy(tolerance=0.1*kilojoule/mole, maxIterations=500)
simulation.minimizeEnergy(tolerance=0.1*kilojoule/mole/nanometer, maxIterations=500)
Removing Center of Mass Motion
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