2nd Workshop on Molecular Simulation

José Guillermo Méndez Bermudez*, Iván Guillén Escamilla*, and Arlette Méndez Maldonado^**

^*Centro Universitario de los Valles, Universidad de Guadalajara, Mexico

^**Centro Universitario de Ciencias Exactas e Ingienerías, 

Universidad de Guadalajara, México

Molecular simulation using GROMACS software: from the basics of molecular dynamics to complex applications.

Goal: The aims of this workshop is to understands the basic concepts to develop a molecular dynamics in GROMACS.  Understand how to build systems related with, nanostructures and biological systems. The workshop will be in Spanish.

Subject-matter:

Monday: Basic Unix commands, introduction to Molecular Dynamics with Gromacs.  Exercises: Building systems.

Tuesday: Nanotube systems

Wednesday: Biological  membranes

Thursday: Gallstones formation

Please. Bring your computer ...

Participants registration click HERE !!

The following free programs must be previously installed (on Mac IOS / Linux OS):

• Gromacs 5.1.X: http://www.gromacs.org/Downloads

• VMD: http://www.ks.uiuc.edu/Research/vmd/

• Avogadro: https://avogadro.cc/

• Grace: http://plasma-gate.weizmann.ac.il/Grace/

• Packmol: http://www.ime.unicamp.br/~martinez/packmol/home.shtml

If you have a problem to install this software you can see the attached files and you can send me an email.

Instructors:

Dr. José Guillermo Méndez Bermúdez: jose.mendez@valles.udg.mx

Dr. Arlette Méndez Maldonado: arlette.mm@gmail.com