You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
For supported format (any topology and trajectory formats that can be read by `MDAnalysis <https://userguide.mdanalysis.org/stable/formats/index.html>`_) you will need to output the **coordinates** and **forces** to the **same file**.
@@ -148,3 +162,11 @@ Or as an alternative, you could edit the config.yaml file and use the CodeEntrop
148
162
149
163
CodeEntropy creates job* directories for the output, where * is a job number choosen by the so that there are sequentially numbered directories when you rerun CodeEntropy in the same working directory.
150
164
Each job* directory contains the output json file and a subdirectory with the log files.
165
+
166
+
Data Files
167
+
^^^^^^^^^^
168
+
The example files mentioned above can be downloaded.
169
+
170
+
`Lysozyme example (~1.2GB) <https://ccpbiosim.ac.uk/file-store/codeentropy-examples/lysozyme_example.tar>`_
171
+
172
+
`DNA fragment example (~1MB) <https://ccpbiosim.ac.uk/file-store/codeentropy-examples/dna_example.tar>`_
0 commit comments