I am trying to generate multiple conformation of small molecules. As a first
step I am trying to minimize the molecule.
However when I try to select the forcefield using
OBForceField* pFF = OBForceField::FindForceField("MMFF94");
if (!pFF->Setup(obmol1)){
......
it gives me a segmentation fault error
Replacing this with :
if (!pFF){
cout << "Not a valid pointer" << endl;
I find that the segmentation fault is probably due to invalid pointer.
Thanks in advance.
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