Hello, OBConformerData::GetForces() has return type std::vector<std::vector<vector3>>. It is my understanding that the outer vector corresponds to the conformer number and the inner vector to the atom number.
What is the unit of the forces stored inside the vector3? Thanks in advance, Sebastian -- View this message in context: http://forums.openbabel.org/Unit-of-Forces-Returned-by-GetForces-tp4659088.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Go from Idea to Many App Stores Faster with Intel(R) XDK Give your users amazing mobile app experiences with Intel(R) XDK. Use one codebase in this all-in-one HTML5 development environment. Design, debug & build mobile apps & 2D/3D high-impact games for multiple OSs. http://pubads.g.doubleclick.net/gampad/clk?id=254741911&iu=/4140 _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
