Invoking GaussView on a Research Server via Windows Desktop with X-Win32
Description: Setting up Environment and Invoking – Invoking GaussView on a Research Server via Windows Desktop with X-Win32 Note: You must be a “tcsh” or “csh” user to benefit from the full functionality of this package. Before accessing GaussView from Windows machines, the following steps should be done. If you have already setup for GaussView using […]
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Invoking GaussView on a Research Server via UNIX Desktop
Description: Setting up the Environment and Invoking GaussView on a Research Server via UNIX Desktop Note: You must be a “tcsh” or “csh” user to benefit from the full functionality of this package. Before accessing GaussView from UNIX machines, the following steps should be done. If the setup for GaussView with the “module” command (step 2) […]
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Visualization Application – GaussView
Description: Overview You must be a “tcsh” user to benefit from the full functionality of this package. GaussView 5.0.9 makes using Gaussian 09 B1 simple and straightforward by sketching in molecules using its advanced 3D Structure Builder, or loading in molecules from standard files. Also, it sets up and submits Gaussian 09 jobs right from the […]
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Gaussian: Tutorial on Using LSF Scripts to Automate Jobs
Description: Introduction When Gaussian starts running jobs for relatively big molecules, it requires more disk space in saving some intermediate results during the course of the computation. It is always better to start up the job in scratch space to take advantage of unlimited disk space. In order to avoid moving files back and forth between […]
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Gaussian: Tutorial on Water Single Point Energy and the Command Line
Description: Table of Contents Introduction Setup on the Available Clusters Run Gaussian in scratch space Tutorial Steps Running Gaussian on the Clusters Additional Links Introduction You can use command line execution to create and save a Gaussian input file. Below is an example based on restricted Hartree-Fock calculations on a 6-31G(d) basis set for water single […]
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