Mod:Second Year Modelling Workshop

Molecular Modelling Workshop

This workshop comprises a single 3 hour session which serves as an introduction to a technique known as molecular mechanics modelling. The course consists of the following components

1. A short 30 minute demonstration of the program which will be used, Ghemical.
2. An opportunity for you to try this program out on up to 8 set problems
3. At the end of the course, you will have produced some numerical answers to questions posed in each problem
4. The course will end with model answers to each problem for you to compare your values with
5. The idea is that you will then use this (and in the future more accurate) techniques whenever the opportunity arises during the course of lectures, labs and set problems

Starting the Ghemical Program

1. Log into a Windows computer in the department, and find an icon on the desktop with the name Shortcut to ghemical.bat. Double click this.
2. The following display will (eventually) appear. Do not worry if it takes a minute or so!