This GROMACS workshop is designed to teach participants how to effectively use GROMACS, which is a popular and powerful molecular dynamics simulation software package. GROMACS stands for “GROningen MAchine for Chemical Simulations” and is widely used in the field of computational chemistry and molecular biology for simulating the behavior of biomolecules such as proteins, lipids, and nucleic acids.
Workshop organised by Sri Ramachandra Faculty of Pharmacy, Sri Ramachandra Institute of Higher Education and Research (DU).” Since the workshop is organised and conducted by an unit of Sri Ramachandra University, i.e., Sri Ramachandra Faculty of Pharmacy, and not by the whole university
Participants will receive hands-on training and guidance from experts in the field. The workshop will cover various aspects of GROMACS, including installation, basic usage, advanced simulations, data analysis, and the interpretation of simulation results. Participants may also learn about best practices for setting up simulations, choosing appropriate force fields, and optimizing simulation parameters.
It will be a valuable experience for researchers, scientists, and students interested in molecular dynamics simulations, as they provide the opportunity to gain practical skills and insights into simulating complex biological systems at the atomic level.
Requirements for the workshop:
*Participants are encouraged to bring their own laptop with a minimum specification of an Intel i3 (6th Generation or above).
*Participants may perform MD with the protein-ligand complex provided in the workshop or bring their own docked complex in AutoDock.
*An ID card issued by the college, institute, or company is mandatory for participating in the workshop.
*Participants must attend all the sessions to be eligible for certification.
*Participants are requested to make their own arrangements for accommodations.
