Forcefield Development Hints
The Atom Level Minimizer provides a simple way to implement user defined force fields for the calculation of energies between atoms.
All you need to do is to extend the class 'EnergyFunction' of the cm2membranepackingalgorithm package. Similar as if you were developing an entire algorithm, you'll have to wrap your project into a .jar file. Also make sure that the name of the .jar file equals the name of the class, that inherits from 'EnergyFunction'. This jar file then has to be copied into the directory of the AtomLevel Minimizer, located inside your 'Workspace' directory:
"MyWorkspaceLocation\Algorithm_Settings\Atom Level Minimizer\EnergyFunctions"
As soon as you restart the Atom Level Minimizer, your force field will be accessible inside the 'Settings' dialog.
See the EnergyFunction's javadoc page for a list of methods that have to be implemented
- Written by bjoern
- Category: Cm2dev
- Published: 14 September 2013
- Hits: 2054