rlyspn/SeniorDesign_COMP4710 — Issue #24: Atom x,y,z coor. containing negative values in final pdb and state outputs
Author: swooten
Created: 2012-02-28 19:05:40+00:00
State: open

During testing of the metropolisSimmulation, and when going over the final pdb and state file they both contained negative values for various x,y, and z coordinates. Maybe the wrap box function isn't being used when randomly moving an atom?