Avogadro with GAMESS-US: Optimization
GAMESS-US TUTORIAL: OPTIMIZATION OF ACETAMINOPHEN 1) MAKE INPUT IN AVOGADRO 2) RUN GAMESS THE NASTY WAY : rungms.bat input.inp 13-64.pgi.linux.blas 4 0 output.log 3) RUN GAMESS THE NICE WAY: python run_gamess_job.py input.inp processors 4) ANALYZE OUTPUT 5) VISUALIZE OUTPUT WITH wxMacMolPlt Link to GitHub: https://github.com/Ianiusha/Uselfuls_...
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