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Installation
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- File input and ouput
  - Setting up an OPLS force field calculation
- Optimization
  - Simple structure relaxation
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General Index
Python Module Index

.rst

File input and ouput

File input and ouput#

Examples on reading and writing files.

Setting up an OPLS force field calculation

Setting up an OPLS force field calculation

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Setting up an OPLS force field calculation

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Last updated on Tue, 01 Sep 2026 15:29:45.