> Seems like the debugger is looking for files located on ghutchis's computer.
> How do I create and link the .o files myself? Do I need to make modifications
> to CMakeLists.txt file?
Are you trying to link against the binary install of libopenbabel.dylib? If so,
it's built for "-g -O2" flags.
> Where are kr, kth, vn_half, etc. defined? They don't seem to be explicitly
> stated in the gaff.dat file. For example, kr is defined as
These things are usually in the appropriate journal articles. So for example:
> bondcalc.kr = KCAL_TO_KJ * parameter->_dpar[0];
Since Open Babel uses kJ/mol
