- ParaMol
- Installation
- Library Documentation
- Examples
- Example 1: A simple, trivial example - Parametrization of the carbon monoxide bond
- Example 2: RESP charge fitting of aniline
- Example 3: Example of adaptive parametrization using caffeine
- Example 4: Example of atom-type symmetry-constrained parametrization using aspirin
- Example 5: Example of torsional scan using a norfloxacin analog
- Example 6: Example of how to restart a calculation
- Example 7: Example of multiple system parametrization
- ParaMol Settings
- File Specifications
- Change Log