> I have some troubles with the --gen3D option. On some files, i have this > warning : WARNING: damped steplength > and i can't do anything else after.
There shouldn't be any concern about this. Basically, it's suggesting that the initial geometry is a bit crude. Often the resulting 3D geometry is rougher than you might expect. But it wouldn't cause invalid output or anything like this. You say "I can't do anything else after," which I guess means that it seems to hang? Can you send us an example file? Thanks very much, -Geoff ------------------------------------------------------------------------------ Monitor your physical, virtual and cloud infrastructure from a single web console. Get in-depth insight into apps, servers, databases, vmware, SAP, cloud infrastructure, etc. Download 30-day Free Trial. Pricing starts from $795 for 25 servers or applications! http://p.sf.net/sfu/zoho_dev2dev_nov _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
