Curso UCIBIO (Module 5 - Molecular Dynamics)

Session

Modulo 5 - Molecular Dynamics

28 Sept 2022, 14:00

Conveners

Modulo 5 - Molecular Dynamics: Modelling

• Henrique Fernandes
• Sérgio Sousa
• Arménio Barbosa

Description

Software: AMBER

1. Brief Introduction to Molecular Dynamics Simulations
2. AMBER
   a. System preparation
   b. MD run scripts: GPU and mpi
   c. Performance analysis
3. Conclusion: Comparison of software performance in GPU and mpi in the considered system.

Molecular System: Main Protease of SARS-CoV-2

Entrar na reunião Zoom
https://videoconf-colibri.zoom.us/j/94140986355?pwd=NVNOSkhGL1F3UjNtdStCVW9mcHIrUT09

ID da reunião: 941 4098 6355
Senha de acesso: 968342

Presentation materials

Course_INCD_Module05.pdf