exercises:2015_cecam_tutorial:urea
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exercises:2015_cecam_tutorial:urea [2015/08/19 14:52] – do not escape $ tmueller | exercises:2015_cecam_tutorial:urea [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
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Problem: QM/MM study of the Urea Zwitterion in water by means of a QM/MM Hamiltonian. | Problem: QM/MM study of the Urea Zwitterion in water by means of a QM/MM Hamiltonian. | ||
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+ | * Original author: Marcella Iannuzzi | ||
+ | * Complete source and output files: [[http:// | ||
===== Introduction ===== | ===== Introduction ===== | ||
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&END | &END | ||
</ | </ | ||
- | In the '' | + | In the '' |
The core of the evaluation in a classical run, is the evaluation of the electrostatic. We can adjust these parameters in the '' | The core of the evaluation in a classical run, is the evaluation of the electrostatic. We can adjust these parameters in the '' |
exercises/2015_cecam_tutorial/urea.1439995968.txt.gz · Last modified: 2020/08/21 10:14 (external edit)