Winmostar™を使った定期講習会

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Winmostar 2015 9 2 Winmostar etc2Copyright (C) 2008-2015 X-Ability Co.,Ltd. All rights reserved. MOPAC6 MOPAC7CNDO/SUV-VIS Gaussian GAMESS Gromacs LAMMPS Winmostar 3GUI (MO) (MD) Copyright (C) 2008-2015 X-Ability Co.,Ltd. All rights V5 4 Gromacs, LAMMPS MD NWChem (C) 2008-2015 X-Ability Co.,Ltd. All rights (C) 2008-2015 X-Ability Co.,Ltd. All rights reserved. 11 Oct 2011Winmostar AM1 EF PRECISE GNORM= NOINTER GRAPHFWinmostarO 0 0 0 0 0 0 0 0 0H 1 0 0 0 0 1 0 0H 1 1 0 0 1 2 0AM1 EF PRECISE GNORM= NOINTER GRAPHFWinmostarATOM CHEMICAL BOND LENGTH BOND ANGLE TWIST ANGLENUMBER SYMBOL (ANGSTROMS) (DEGREES) (DEGREES)(I) NA:I NB:NA:I NC:NB:NA:I NA NB NC1 O 2 H * 13 H.

11 oct 2011 winmostar mopac 最適化構造等の表示 gaussian gamess final geometry obtained am1 ef precise gnorm=0.05 nointer graphf