Material for the MD-GAS School
Clone the repository as: git clone https://github.com/emartineznunez/MD-GAS_AutoMeKin.git
The material includes simple examples for the following computer programs:
AutoMeKin: https://rxnkin.usc.es/index.php/AutoMeKin
For AutoMeKin, both the command line and the Web application can be employed:
-
Command-line scripts are installed in the Galician Supercomputer Center CESGA. Please read these instructions to access the Web Portal
-
To acces the Web application just follow this link: https://rxnkin.usc.es/amk/ and then click on Tutorial