Feature Requests item #2624401, was opened at 2009-02-21 10:55
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Category: None
Group: v 1.0.0
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: Geoff Hutchison (ghutchis)
Assigned to: Nobody/Anonymous (nobody)
Summary: AutoOpt needs “Best Available”
Initial Comment:
The auto-opt tool should have a “best available” choice for force fields – this would use MMFF94 if it can, and UFF otherwise. (If proteins force fields like AMBER or CHARMM are implemented, these can also go into the logic.)
You can respond by visiting:
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