Thanks again, "--log " was what I'm missing... 2011/4/11 Chris Morley <c.mor...@gaseq.co.uk>: > On 11/04/2011 09:20, Noel O'Boyle wrote: >> I have the same on Win7. It looks like obenergy has suffered bit rot. >> >> We have been trying to replace these executables with equivalent >> options to obabel. See the section in the OB docs about adding a new >> op (operation). > > There already is an op --energy which may do what you want, although I > haven't used it myself. > Try obabel -L energy for more info > The forcefields seem to be working ok with it. > > Chris
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