I have had a look at the code, and the variables force_a[3] ...force_d[3], do not take any value so they are initialized as 0. Throughout forcefield calculations they are not added any value but they only multiply or divide... that would mean though that they should retain 0 after all calculations which should not be the case...
Am i missing something here? Forcefield i used : MMFF94s cheers, Thanasio -- View this message in context: http://forums.openbabel.org/Force-calculation-based-question-tp4390592p4390592.html Sent from the openbabel-devel mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Virtualization & Cloud Management Using Capacity Planning Cloud computing makes use of virtualization - but cloud computing also focuses on allowing computing to be delivered as a service. http://www.accelacomm.com/jaw/sfnl/114/51521223/ _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
