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About MD Simulation Tutorial in Gromacs
This document provides a tutorial for performing molecular dynamics simulations of the trypsin-benzamidine complex using Gromacs. It describes steps such as preparing the protein and ligand topology files, generating the initial system, and performing energy minimization and position-restrained simulations. The goal is to relax the water molecules in the system while restraining the protein over 100 picoseconds of simulation under NVT conditions.
Detailed Information
| Author: | ['Simanta Paul'] |
|---|---|
| Publication Year: | 2013 |
| Pages: | 9 |
| Language: | English |
| Format: | |
| Price: | FREE |
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