Skip to content
Snippets Groups Projects
Commit 2568b4ff authored by Berk Onat's avatar Berk Onat
Browse files

Initial Commit

parent 64abd69f
Branches
Tags
No related merge requests found
# Amber Parser
##Version 0.0.1a
This is the parser for SANDER and PHEMD 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/PHEMD) 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/PHEMD) 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 are explained in a README in this directory.
# Documentation of Code
......
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Please register or to comment