Feature Requests item #2671768, was opened at 2009-03-07 20:03
Message generated for change (Tracker Item Submitted) made by Item Submitter
You can respond by visiting:
https://sourceforge.net/tracker/?func=detail&atid=835080&aid=2671768&group_id=165310
Please note that this message will contain a full copy of the comment thread,
including the initial issue submission, for this request,
not just the latest update.
Category: Commands / Extensions
Group: None
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: Nobody/Anonymous (nobody)
Assigned to: Nobody/Anonymous (nobody)
Summary: Potential energy graphing
Initial Comment:
Would it be possible to generate a plugin to do potential energy mapping to enable various potentials to be explored?
Those implemented in the old GChemical would be a good start:1-torsion, 2-torsions (Phi1-Phi2) etc. Would also be interesting if it were possible to dump potential data out as data file for use in other programs.
You can respond by visiting:
https://sourceforge.net/tracker/?func=detail&atid=835080&aid=2671768&group_id=165310