2nd Workshop on molecular simulation using GROMACS software:

from the basics of molecular dynamics to pollution management

This workshop is free if you pay registration to the Congress

Open enrollment

Instructors

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

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

Goal

The aims of this workshop are to understand the basic concepts to develop a molecular dynamics in GROMACS, to know what means a reparametrization of the force field and to understand how to build systems related with desortion/absortion of contaminants.

To see the workshop program click here

 The following free programs must be previously installed:

► 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.

To register to workshop click on the button below