The calculation will be completed very fast. GaussView will run a classical mechanics minimization of the prepared structure. Select Carbon Tetrahedral and click on of the hydrogen atom to make toluene.ģ.4 Use Minimization routine to quickly improve geometry: click the Clean button (the broom icon). Note the Builder Fragment button also displays "benzene." Click anywhere in the New window and benzene will be added:ģ.3 Click on the Element button on the Builder panel and Element Fragments palette will be shown. Select benzene and it appears in the Main window. GaussView will remember to keep it open next time.ģ.1 Start new molecule from the Main window: File -> New -> Create Molecule Groupģ.2 In the Builder window click the ring button - the Ring Fragments window will appear: Initially two windows of GaussView will be displayed. Set up your session to use Gaussian. You will have to repeat each time you connect to Lop: > module load gaussian/g16 Go to the newly made directory: > cd gaussian-gv-tutorial Make a new directory for this tutorial: > mkdir gaussian-gv-tutorial Note: For x-forwarding information see SCS ClustersĬonnect to the SCS cluster (note when working outside of the University network, on need to start a VPN first):
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