These are the release notes for version 0.81 of the Adun molecular simulator. It's been a while since the last release, and in addition to the changes listed below v0.81 contains fixes for far too many bugs to mention, and numerous small user tweeks. The new version also sees assorted changes "under the hood", the benifits of which will be gradually made apparent over the rest of the 0.8x release cycle.

• Updated to compile with gcc 4.3+
• Update to compile using GNUstep make 2.06+
• Fixed Mac installation issues
• Added support for parallel compilation using OpenMPI (under GNUstep)
• A set of quickstart files are installed directly at first start-up

• Full support for the Charmm force-field
• Improved error detection during simulations
• Added Generalised Born implicit solvent simulations (Beta)
• Full scripting support via new AdunShell tool
• Provides interactive scripting sessions
• Runs pre-written scripts
• Enables you to run a simulation interactively
• Added "warming" capability to Berendesn thermostat

• The SystemAnalysis plugin now calculates Born-Radii and solvation energies
• New PDBStructureModifier plugin eases building of systems.
• Handles Histidine renaming (Charmm, Enzymix)
• Handles terminal residues (Charmm)
• Create Chimera attribute files from DataSets (Edit->Create Attribute File)
• Directly export tables displayed in the Analyser as csv files
• Use the File->Export As command for quick exports
• New Gnuplot features
• You can refer to the currently displayed table using 'CurrentTable'
• Increased performance when dealing with large data sets

• Auto-updating using Sparkle
• Directly download PDB's from the Protein Data-Bank
• Initial Adun HelpBook
• Drag and drop Analyser tables e.g. into Numbers