Skip to content
GitLab
Explore
Sign in
Primary navigation
Search or go to…
Project
P
parser-amber
Manage
Activity
Members
Labels
Plan
Issues
Issue boards
Milestones
Wiki
Code
Merge requests
Repository
Branches
Commits
Tags
Repository graph
Compare revisions
Snippets
Build
Pipelines
Jobs
Pipeline schedules
Artifacts
Deploy
Releases
Model registry
Operate
Environments
Monitor
Incidents
Service Desk
Analyze
Value stream analytics
Contributor analytics
CI/CD analytics
Repository analytics
Model experiments
Help
Help
Support
GitLab documentation
Compare GitLab plans
Community forum
Contribute to GitLab
Provide feedback
Keyboard shortcuts
?
Snippets
Groups
Projects
This is an archived project. Repository and other project resources are read-only.
Show more breadcrumbs
nomad-lab
parser-amber
Commits
651126da
Commit
651126da
authored
7 years ago
by
Berk Onat
Browse files
Options
Downloads
Patches
Plain Diff
Update README.md
parent
2b4073c8
No related branches found
No related tags found
No related merge requests found
Changes
1
Hide whitespace changes
Inline
Side-by-side
Showing
1 changed file
README.md
+3
-3
3 additions, 3 deletions
README.md
with
3 additions
and
3 deletions
README.md
+
3
−
3
View file @
651126da
# A
mber
Parser
# A
MBER
Parser
## Version 0.0.1a
This is the parser for SANDER and PMEMD Molecular Dynamics codes in
[
AMBER
](
http://ambermd.org
)
.
The official version lives at:
...
...
@@ -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
A
mber
(SANDER/PMEMD) output files can be parsed with:
A
MBER
(SANDER/PMEMD) output files can be parsed with:
python AMBERParser.py [path/toFile]
## Test Files
Example output files of A
mber
(SANDER/PMEMD) can be found in the directory test/examples.
Example output files of A
MBER
(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
...
...
This diff is collapsed.
Click to expand it.
Preview
0%
Loading
Try again
or
attach a new file
.
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Save comment
Cancel
Please
register
or
sign in
to comment