From: Charles Reilly <reilly@we...> - 2012-07-13 02:55:20
I am an animator and am in need of a molecule with orbital information to use as an artistic reference. If anyone could help me that would be great. Initially I was using the vitamin C .fchk file that comes with avagadro, however it doesn't quite do the job.
I am trying to visualise a lipid(from a lipid membrane) for which I have pdb and trajectory data for.
Unfortunately I do not have any experience using gaussian or similar programs. Does anybody have a .fchk file for a simple saturated and unsaturated hydrocarbon…?
Or know where I could locate example fchk files.
Also, is it possible to export the orbitals from Avagadro as geometry files?
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