From: Agisilaos Chantzis (agisilaos.chantzis_at_gtn.ai)
Date: Fri Oct 05 2018 - 11:20:54 CDT
I was wondering if someone can use QwikMD to set up QM/MM calculations,
without resorting to the program's GUI. It would be quite valuable for
scripting and automating the whole process.
I would appreciate it if you could direct me to some documentation on
ways that such a thing can be done.
This archive was generated by hypermail 2.1.6 : Tue Dec 31 2019 - 23:20:14 CST