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About GROMACS Tutorial
This document provides instructions for using GROMACS to simulate the solvation of a spider toxin peptide. The tutorial will compare simulations of the peptide in vacuo, solvated without ions, and solvated with counterions added. The peptide structure is prepared using utilities like pdb2gmx and editconf. Systems are then energy minimized using steepest descent. Explicit water boxes are generated with genbox and ions are added using genion.
Detailed Information
| Author: | ['Matheus Malta de Sá'] |
|---|---|
| Publication Year: | 2012 |
| Pages: | 22 |
| Language: | English |
| Format: | |
| Price: | FREE |
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