> I am using the developer version in my programs, I have to use that, please > help me understand why the developer version of openbabel has problem to > match cc and cd atom types.
The difference is that I noticed v2.3.2 was still using the Ghemical force field as the default, which isn't a good thing. You definitely want atom typing and energies from MMFF94, which is what's used in the developer "master" version. Hope that helps, -Geoff ------------------------------------------------------------------------------ Comprehensive Server Monitoring with Site24x7. Monitor 10 servers for $9/Month. Get alerted through email, SMS, voice calls or mobile push notifications. Take corrective actions from your mobile device. http://p.sf.net/sfu/Zoho _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
