MacroModel Quick Start Guide - ISP
MacroModel Quick Start Guide - ISP
MacroModel Quick Start Guide - ISP
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Chapter 3: Energy Calculation and Minimization3. In the Import panel, select MultMini.mae from the list of files, and click Open.This file contains 10 small molecular structures, which are imported as a new groupnamed MultMini.4. Open the Project Table panel.5. Ensure that all 10 structures are selected in the Project Table.See page 15 of the Maestro Overview for information on selecting entries.6. Choose <strong>MacroModel</strong> > Multiple Minimization from the Applications menu.7. Choose Project Table (selected entries) from the Use structures from option menu (seeFigure 3.6).8. Click <strong>Start</strong> to open the <strong>Start</strong> dialog box.Figure 3.6. The Multiple Minimization panel showing the Mult tab.36<strong>MacroModel</strong> 9.7 <strong>Quick</strong> <strong>Start</strong> <strong>Guide</strong>