This file summarizes differences from the initial release of the MMFF94 Validation Suite Changed energies (and geometries) --------------------------------- Molecule New energy Old energy ---------------------------------- CEWYIM30 66.77530 54.79923 DAKCEX 6.83065 17.35025 FAPLUD -389.23990 -404.09032 GIGCEE 42.32187 40.83252 KEPKIZ 61.81628 57.81972 SAKGUG 26.03383 25.11418 TAPJUP 19.89126 17.27335 VEWZOM -9.37968 -10.38716 New molecules ------------- Molecule Energy -------------------- ERULE_01 -21.51511 ERULE_02 29.79957 ERULE_03 -2.93518 ERULE_04 -2.31007 ERULE_05 4.88443 ERULE_06 1.58172 ERULE_07 3.16775 ERULE_08 34.41382 All results shown are OPTIMOL energies in kcal/mol obtained on a SGI R10000 workstation.