Wales Group

Members:

• Dr David J. Wales
• Szilard Fejer
• Chris Whittleston
• Hayley McKay
• Dr Joanne Carr
• Dr Dwaipayan Chakrabarti
• Dr Edyta Malolepsza
• Dr Birgit Strodel

This page is intended to be an index of useful info concerning group practice and use of software including tutorials. Please feel free to add any notes you have on software use and especially on common problems you encounter.

Software

The official documentation can be found here. The links below provide working examples for each program the group uses, including step-by-step setup.

• GMIN
• OPTIM
• PATHSAMPLE
• REX (Replica EXchange MD) with the MMTSB-toolset
• gnuplot