Hi,
If I am patient enough to wait even if the program takes forever ... what is
the obabel invocation that will give the minimum energy conformer for a given
molecule?
I am confused between the systematic, weighted and GA options. They all seem to
"claim" to give the min energy conformer and yet they all seem to produce
different conformers for a molecule I'm trying them on.
Also, why does the --nconf parameter seem to have no effect when --systematic
is used?
Thanks,~ash
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