UNIX: Customizing Your Environment
Description: Changing the World around You Unix is popular with many users, especially programmers, because of the ease with which you can customize your computing environment. Within Unix you can create commands, configure various settings to make the environment suit your tastes and needs, and create helpful shortcuts for accomplishing complex tasks. These feats are primarily […]
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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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Scientific Application – GAMESS
Description: Overview The General Atomic and Molecular Electronic Structure System (GAMESS) is a free, general, and parallel (via MPI) ab initio quantum chemistry package. It can compute wavefunctions ranging from RHF, ROHF, UHF, GVB, and MCSCF, with CI and MP2 energy corrections. Analytic gradients are available for these SCF functions, for automatic geometry optimization, transition state […]
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Scientific Application – Amber
Description: Table of Contents Overview Setting up your Environment and Invoking Notes Links Recommended Citations Additional Help Overview Amber (Assisted Model Building with Energy Refinement) is a general-purpose molecular mechanics and dynamics program designed for the refinement of macro-molecular conformations using an analytical potential energy function. All Amber modules execute on our support servers. The program […]
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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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SAS FAQ – How do I obtain a JMP license file?
Description: Introduction This document is intended for JMP users, and provides instructions for obtaining a JMP License file.. Instructions 1. Please go to the following web link: https://software.unc.edu/jmp 2. You will be prompted to enter your ONYEN and Password to access the website. 3. Supported Web Broswers: Internet Explorer 6 and above, Mozilla Firefox 1.x and […]
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Scientific Application – Materials Studio
Description: Overview Materials Studio┬« is a software environment that brings the world’s most advanced and validated materials simulation technology to desktop computing, solving key problems throughout the R&D process. Offering advanced visualization tools and access to the complete range of computational materials science methods, Materials Studio is designed for structural and computational researchers in chemicals and […]
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Installing additional components to SAS 9.1.3 (Onyen Restricted)
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Installing Linux
Description: Introduction This document attempts to explain how to install RedHat Linux 7.2 on a workstation over the UNC Campus network while keeping security in mind. It is meant for novice Linux users who know some basic commands and can edit files, compile software, etc. This is meant to be a reference guide to help the […]
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Scientific Application – GROMACS
Description: Table of Contents Overview Setting up your Environment and Invoking Notes for Usage Links Recommended Citations Additional Help Overview GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. It is primarily designed for biochemical molecules like proteins and lipids that […]
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