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Category Archives: Tutorials
Running Chemistry Simulations on the TNTECH HPC Cluster
The two most commonly used HPC applications in chemistry research on our campus are Gaussian ’09 (for ab initio and semi-empirical quantum mechanics), and NAMD (for classical molecular dynamics). To manage the queue of different computational jobs on the cluster, … Continue reading
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Tutorial: Windows vs. UNIX/Linux File Formatting Tips
For the most part, files generated in Windows will be compatible and readable on a UNIX/Linux system. One of the first key things for users to understand is that UNIX filenames are case-sensitive, while Windows filenames are not. So there … Continue reading
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Tutorial: Printing on the Poster Printer in LSC-2335
The HP DesignJet T530 is a high quality, large format printer capable of printing up to 36″ wide for scientific posters. This printer is available to faculty and student researchers in the Department of Chemistry. The printer is located at … Continue reading
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Tutorial: UNIX and Linux Information
The systems in the computer modeling laboratory, as well as Tennessee Tech University’s HPC cluster, run versions of the Linux operating system. Linux is a family of open-source, UNIX-like operating systems that are based on the Linux kernel. UNIX is … Continue reading
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Tutorial: Converting a 2D Sketch of a Molecule to 3D
Many Chemistry students learn how to use ChemDraw to sketch a 2D molecule on the screen during their undergraduate or graduate education. ChemDraw is the de facto standard for producing chemical drawings, and is widely used by faculty and researchers … Continue reading
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