This is a question about geometry optimization in Avogadro2 using a force field such as MMFF94 (or any other option). Previously, in Avogadro 1.2.0, one could optimize the geometry, and the energy (as a function of minimization step) was reported in the Messages window. Alternately, after the geomet…

In Avogadro 1.98, you can run a single point energy calculation by going to Extensions > Calculate > Energy. This will use the same forcefield as the one used by Extensions > Calculate > Optimize, and the forcefield can be chosen in the Configure... dialog. Note that MMFF94 is not currently availab…

[image] standard: Since I have not used Avogadro2 that much, I may be missing something, but I’m trying to find where the value of the optimized energy is accessible in Avogadro2. It does not appear to be readily available. It’s a reasonable request. I can add it under Molecule Properties fai…

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