> 1. In the Avogadro's autooptimization tool the phrase "fixed atoms are > movable" is ambiguous. Does it mean "selected atoms are movable"?
There's a concept of a "fixed atom" (i.e., not affected by optimization -- frozen in space). Maybe "frozen" is a better word. The option means that you can manually move these fixed atoms. If anyone has a better idea for wording, we're always open to them! > 2. I've read that Dreiding atom types already are determined by openbabel. > Will the Dreiding optimization be introduced into Avogadro any time in the > future? Maybe. Right now, I think our main interest is improving optimization speed. But if there's interest in Dreiding, please let me know or add it as a feature request! Thanks very much, -Geoff ------------------------------------------------------------------------------ Benefiting from Server Virtualization: Beyond Initial Workload Consolidation -- Increasing the use of server virtualization is a top priority.Virtualization can reduce costs, simplify management, and improve application availability and disaster protection. Learn more about boosting the value of server virtualization. http://p.sf.net/sfu/vmware-sfdev2dev _______________________________________________ Avogadro-Discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
