Hello Guys just got a second question.
Thought maybe you can answer them both together
If I use obconformer to generate a new conformation of my Ligand:
obconformer 250 100 <inputfile> 1> <outputfile> 2> log.txt
it shows me that the best of the 250 randomly generatet conformation has an
energy at somewhere about 3.5 kcal/mol but after the minimization of this
conformation the energy converges at about 68.2 kcal/mol.
How is this possible? I think the minimization Step should lead to e deeper
Energy than to a almot 20times higher one ?
Thanks a lot
Roman
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