short range interaction for butane is correct.Still something wrong with long range one
Change interface of SimInfo
still have two linking problem
refactory AtomType
brains get built, io is next
fix Thermo
refactory NPT integrator
MoleculeCreator forget to create CutoffGroups for free atoms
OOPSE = Object-Obfuscated Parallel Simulation Engine
This form allows you to request diffs between any two revisions of this file. For each of the two "sides" of the diff, enter a numeric revision.