Hi,
I am using a patched version of OB with the force field code to do
atomtyping. My code is simply like this:
std::string forcefield = "gaff";
auto *ff = OpenBabel::OBForceField::FindForceField(forcefield);
it works fine on some installations (both Linux and Mac) but on other
Linux boxes it does not work. The code is installed somewhere in my
homedirectory. Environment variable BABEL_DATADIR or BABEL_LIBDIR have
no effect as far as I can tell.
Any clues?
Cheers,
--
David van der Spoel, Ph.D., Professor of Biology
Head of Department, Cell & Molecular Biology, Uppsala University.
Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.
http://www.icm.uu.se
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