Hi Chunzhi,
Thanks for the files. I see you’re calling the WEED plugin and not WESS. Note that if you’re recycling and thus running WE in “steady-state” mode, you have to use WESS and not WEED, which is for “equilibrium” WE simulations without recycling conditions. This can be fixed by just changing the name in the plugin. I would also make sure your indents are consistent and correct.
Here is an example using WESS:
plugins:
- plugin: westpa.westext.wess.WESSDriver
enabled: true
do_reweighting: true
window_size: 0.75
You’re also correct that you should expect to see the WESS results in your west.log file. I’d say try it again using WESS and it should show up.
Best,
Darian
To view this discussion on the web visit
https://groups.google.com/d/msgid/westpa-users/8f431153-1777-4872-986b-6b9beb9a4c99n%40googlegroups.com.