Research: AMOEBA Reference Frame: Revision history

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21 April 2025

  • curprev 23:1223:12, 21 April 2025 Eew947 talk contribs 812 bytes +812 Created page with "1 After we got the moleculeMP2.log file, copy/pasting the new Cartesian coordinates out of the end of moleculeMP2.log into the new .xyz file named moleculeMP2sp.xyz. 600px 2 Then we use one of TINKER's facilities XYZEDIT. It have many interactively selectable options, choose (13) Translate and Rotate to Inertial Frame. At the end of the editing process, a new version of the orginal .xyz file is written as output. In our case, we should have a..."
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