CREST3.0.3 actual --forall --tautomerize2 extendedensemblemode,one7atomacetaldehyderecord,forwardprotonation/deprotonation and--tdpreversepath. --iter0stillinitialonecycle;actualshortMTDrelaxeachgeneratedneutralcandidate,notnoMD. Native6.94/5.89s,intermediates2/final1each;24independentchecks,GFN2SPenergy3.78e-9Eh. Notfulltautomerpopulation/experimentalpKa/kinetics. readplotreferenceonly;submitnewphysics explicitly;buildprivateCRESTifneeded,publicdefaultunchanged.
