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The Tutorials in this series are created using gromacs 2021.2 on Windows 10 OS Ubuntu Linux version 20.04 OS. Gromacs is an open source software to perform Molecular Dynamics (MD) simulation. It is popularly used in MD simulations of biological macromolecules and in polymer studies. 3D conformational space for macromolecules are generated for user analysis in the simulations. Structural coordinates for the individual atoms in a molecule, duration and sampling interval for MD, and force field details, are some of the inputs that are utilized, to calculate atomic interactions, associated energies, and conformational trajectories. Read more


About 9586 results found.

Foss : Gromacs - English

Outline: Register on VMD website for download VMD Install VMD 1.9.3 on Ubuntu Linux 20.04 OS Install VMD 1.9.3 on Windows 10 OS Open a PDB file in VMD Rotate molecule Change depth cue ..

Basic

Foss : Gromacs - English

Outline: About a PDB file PDB website Search and navigate the PDB website View biomolecule structure in the PDB website About FASTA file format Primary sequence of a protein Header de..

Basic

Foss : Gromacs - English

Outline: Flow chart for MD run for proteins in a solvent box from Gromacs manual Delete water molecules present in the input pdb file About pdb2gmx command and syntax About force field o..

Basic

Foss : Gromacs - English

Outline: About solvent molecule files that can be added to the system Solvate command View the solvated system in VMD About mdp file About grompp command Generate tpr binary file Use ..

Intermediate

Foss : Gromacs - English

Outline: About unfavorable interactions after the addition of solvent and ions View the solvated system in VMD Set up energy minimization mdrun command Verbose option to view the proces..

Intermediate

Foss : Gromacs - English

Outline: About temperature and pressure of the system Need for equilibration before the start of the MD simulation nvt.mdp and npt.mdp files Commands for NVT or temperature equilibration..

Intermediate

Foss : Gromacs - English

Outline: Load and play a trajectory file in VMD Settings to play and view trajectory About Timestep in Drawing method Display select specified frames Create new representation Notice ..

Intermediate

Foss : Gromacs - English

Outline: About input file for MD Timescale of motions Time taken for MD Run MD for 1ns About Output files About Data Analysis, PCA, energetics About xtc trajectory file View trajecto..

Advanced

Foss : GUI in Scilab - English

Outline: Learn about GUI and its benefits. What are objects? What is a pushbutton? What is a callback function? Use of a graphic window. About figure function. About ui..

Basic

Foss : GUI in Scilab - English

Outline: *Learn about GUI Builder Toolbox, *Install GUI Builder Toolbox, *About GUIBuilder Palette, *Adding a pushbutton, *What is Tag, *What is String, *Adding a Pushbutton to a GUI ..

Basic

Foss : GUI in Scilab - English

Outline: *About an Edit box, *About a Text box, *How to open an existing GUI, *Adding Tag and String, *Adding an Edit box to GUI, *Adding a Text box to GUI, *About string command, *..

Basic

Foss : GUI in Scilab - English

Outline: *How to change the Background color, *How to change the Font angle of the string, *How to change the Font size of the string, *How to change the Font weight of the string, *How..

Basic

Foss : GUI in Scilab - English

Outline: * Learn about an exponent calculator, * Adding Edit box for base to take user input, * Adding Edit box for exponent to take user input, * Adding a Text box to display the output..

Basic

Foss : GUI in Scilab - English

Outline: *About Linear equation of a line, *What are Axes, *Use of Edit box for taking user input for a, b and c, *Use of Text box for displaying the slope and y-intercept, *Use of Push..

Basic

Foss : GUI in Scilab - English

Outline: * Learn about basic plotting in GUI * About Checkbox, * Adding Checkbox for sine function, * Adding Checkbox for cosine function, * Adding an Axes to display the response of a ..

Basic

Foss : GUI in Scilab - English

Outline: * Learn about an interest calculator, * About Radiobutton, * Adding Edit box for principal to take user input, * Adding Edit box for rate of interest to take user input, * Addi..

Basic

Foss : GUI in Scilab - English

Outline: * About parametric form of a circle, * About a Slider, * Add a Slider to vary the value of a radius, * Add a Text box for displaying the value of radius, * Add an Axes to displ..

Basic

Foss : GUI in Scilab - English

Outline: * About parametric form of a sphere, * Using a Slider to vary the value of a radius, * Using a Text box for displaying the value of radius, * Using an Axes to display the plot, ..

Basic

Foss : HTML - English

Outline: HTML Overview About HTML The content available in various tutorials in this series My First HTML Program Elements, Tags and Attributes Formatting Tags Styles..

Basic

Foss : HTML - English

Outline: My First HTML Program: Structure of an html document Write a sample html program html, head & body sections title tag H1 heading tag Save the html program .html and .htm ..

Basic