Hello everybody,
I was wondering about the status of pysander. I was working on making some
nice automation with pytraj, but when it got to running esander, it
complained I needed to import the sander module. Lo, when I tried this it
failed. I checked the pytraj documentation but following the advice there
to install by conda--the module simply wasn't found. I checked the pysander
documentation (
https://github.com/Amber-MD/pysander) but this leads to a
404.
So is pysander available? If so, please let me know how to load its module
and maybe we can update the documentation for this...somewhere?
Also, for pytraj folks, is there documentation for using lie in pytraj? it
currently just says LIE which isn't very helpful unless you have some
strong and serious doubts about the method.
Kindly,
David P.
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Received on Fri Mar 18 2022 - 05:30:02 PDT
