Adun 0.71
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Adun 0.71 Ranking & Summary
File size:
885 KB
Platform:
MAC OS X
License:
GPL
Price:
Downloads:
880
Date added:
2007-05-30
Publisher:
Michael Johnston & Jordi Villà i Freixa
Adun 0.71 description
Adun is a new biomolecular simulator developed by the Computational Biophysics and Biochemistry Laboratory, a part of the Research Unit on Biomedical Informatics of the UPF.
Enhancements:
New Features and Improvements
- Minimisation
- BFGS, Conjugate Gradient and Steepest Descent algorithms available
- Initial short minimisation step added before initial production loop.
- Improved handling of exploding simulations
- On detecting an exploding simulation AdunCore transparently
- Rolls back the simulation to a previous state
- Performs a minimisation
- Restarts the simulation from the rolled back state.
- Improved container functionality
- Van der waals radius used to define exclusion volume on insertion of a system.
Bug Fixes
- Fixed critical bug that affected temperature stability.
- Fixed critical bug preventing use of Charmm & Amber.
- As a result of this fix its no longer necessary to specify the type of of Lennard-Jones function used by a force field.
Enhancements:
New Features and Improvements
- Minimisation
- BFGS, Conjugate Gradient and Steepest Descent algorithms available
- Initial short minimisation step added before initial production loop.
- Improved handling of exploding simulations
- On detecting an exploding simulation AdunCore transparently
- Rolls back the simulation to a previous state
- Performs a minimisation
- Restarts the simulation from the rolled back state.
- Improved container functionality
- Van der waals radius used to define exclusion volume on insertion of a system.
Bug Fixes
- Fixed critical bug that affected temperature stability.
- Fixed critical bug preventing use of Charmm & Amber.
- As a result of this fix its no longer necessary to specify the type of of Lennard-Jones function used by a force field.
Adun 0.71 Screenshot
Adun 0.71 Keywords
Computational Biophysics Biochemistry Laboratory
Computational Biophysics
Adun 0.71
developed by
biomolecular simulator
biochemistry laboratory
Adun
laboratory
new
simulator
developed
computational
Adun 0.71
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Adun 0.71 Copyright
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