We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
There was an error while loading. Please reload this page.
1 parent 129f75e commit bca2ad3Copy full SHA for bca2ad3
demo/README.md
@@ -10,6 +10,12 @@ $HOME/sire.app/bin/python amber.py
10
11
# Run an example NAMD workflow.
12
$HOME/sire.app/bin/python namd.py
13
+
14
+# Run a generic minimisation node using AMBER input files.
15
+$HOME/sire.app/bin/python minimisation.py --steps=1000 --files amber/ala/*
16
17
+# Run a generic minimisation node using NAMD input files.
18
+$HOME/sire.app/bin/python minimisation.py --steps=1000 --files namd/ala*/*
19
```
20
21
Alternatively, set the `PYTHONPATH` environment so that the python interpreter
0 commit comments