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A Guide To Gromacs: Michael P. Howard, Zifeng Li, and Scott T. Milner September 2, 2020 PDF

48 Pages·2022·English
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by ['Chemical Engineer']| 2022| 48 pages| English

About A Guide To Gromacs: Michael P. Howard, Zifeng Li, and Scott T. Milner September 2, 2020

This document provides a guide to using Gromacs, an open-source molecular dynamics package. It begins with instructions for getting started, including how to access the Penn State cluster called ACI. It then provides an example simulation workflow involving system generation, energy minimization, equilibration, and production molecular dynamics (MD). Subsequent sections provide more details on simulation files, parameters, building molecules and systems, and advanced topics like normal mode analysis and pulling simulations. The overall document serves as a tutorial for new users to learn to run simulations using Gromacs.

Detailed Information

Author:['Chemical Engineer']
Publication Year:2022
Pages:48
Language:English
Format:PDF
Price:FREE
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