Custom forces in Molmodel
Posted: Fri Jun 05, 2009 9:02 am
Hey,
I would like to add my own custom forcefield (from another force library) for a molmodel. I saw that :
Force::Custom(forces, new ExampleForce(matter));
can be used to define a custom ExampleForce. But this doesn't work if I have created a System by loading a pdb file. MolModel only seems to work with DummForcefield.
Can you give me pointers as to how I can handle this situation?
Thanks
Goutham
I would like to add my own custom forcefield (from another force library) for a molmodel. I saw that :
Force::Custom(forces, new ExampleForce(matter));
can be used to define a custom ExampleForce. But this doesn't work if I have created a System by loading a pdb file. MolModel only seems to work with DummForcefield.
Can you give me pointers as to how I can handle this situation?
Thanks
Goutham