> *any* force field typing, or a specific one? I can confirm that none of the current force field code in OB uses the method:
[ghutchis@geoffh-desktop] forcefields: grep Hbond *.cpp (no matches) Currently, the only internal code using the method is in pdbqt format, where it would presumably be OK. -Geoff ------------------------------------------------------------------------------ _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
