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The old version 4.5 of HyperGauss for Windows mistakenly ignored the nuclear-nuclear interaction between the selected part of a system and the unselected part. This may cause some problems when doing geometry optimization using mixed-mode quantum-classical calculations. This new version (4.501) of HyperGauss fixes this bug. Click below to download the corrected version. Copy this file to your HyperChem directory and execute it (for example, by double-clicking on the file icon in the File Manager); the file will expand itself and replace the old GAUSS.EXE file.
Download
GAUSSFIX.EXE (449 kB)
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