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Commit 4a891d98 authored by Berk Onat's avatar Berk Onat
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Merge branch 'master' of gitlab.mpcdf.mpg.de:nomad-lab/parser-amber

Added dictionary support for unit convertion
parents ef632322 651126da
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# Amber Parser
# AMBER Parser
## Version 0.0.1a
This is the parser for SANDER and PMEMD Molecular Dynamics codes in [Amber](http://ambermd.org).
This is the parser for SANDER and PMEMD Molecular Dynamics codes in [AMBER](http://ambermd.org).
The official version lives at:
git@gitlab.mpcdf.mpg.de:nomad-lab/parser-amber.git
......@@ -23,12 +23,12 @@ The required python packages can be installed with (see [python-common](https://
pip install -r nomad-lab-base/python-common/requirements.txt
## Usage
Amber (SANDER/PMEMD) output files can be parsed with:
AMBER (SANDER/PMEMD) output files can be parsed with:
python AMBERParser.py [path/toFile]
## Test Files
Example output files of Amber (SANDER/PMEMD) can be found in the directory test/examples.
Example output files of AMBER (SANDER/PMEMD) can be found in the directory test/examples.
More details about the calculations and files will be explained in this README file.
# Documentation
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