Examples of validation criteria can be found here:

• W. F. van Gunsteren and A. E. Mark. "Validation of molecular dynamics simulation." J. Chem. Phys., 108, 6109-6116 (1998).
  http://dx.doi.org/10.1063/1.476021
• Stuart E. Murdock, Kaihsu Tai, Muan Hong Ng, Steven Johnston, Bing Wu, Hans Fangohr, Charles A. Laughton, Jonathan W. Essex, and Mark S. P. Sansom. "Quality Assurance for Biomolecular Simulations." J. Chem. Theory Comput. 2, 1477-1481 (2006)
  http://dx.doi.org/10.1021/ct6001708