> Thanks for the reply. I've attached the structure, generated conformers and > a plot of the RMSD from structure 1. Looking at the plot, you get an > oscillatory behavior with the same "random" conformer being generated every > 12 structures.
What OS are you using? My guess is that you have a lousy random number generator. The default one in Open Babel isn’t very good, although on some platforms it’s replaced by the system RNG. Thanks, -Geoff ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
