> Hi, we are trying to implement the babel force field code into gromacs but > face a weird problem. In summary, we copied the relevant lines from > obenergy.cpp: > … > However this does not help when using the above statement in gromacs. > Anything we have forgotten?
My guess, without having time to look at the code this morning, is that plugins are not being loaded. Try initializing an OBConversion object. This forces plugin loading. -Geoff _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
