diff --git a/src/ops/gen3d.cpp b/src/ops/gen3d.cpp index c9bb0df7a3..3729fedeb2 100644 --- a/src/ops/gen3d.cpp +++ b/src/ops/gen3d.cpp @@ -149,8 +149,10 @@ bool OpGen3D::Do(OBBase* pOb, const char* OptionText, OpMap* pOptions, OBConvers // Initial cleanup for every level pFF->ConjugateGradients(iterations, 1.0e-4); - if (speed == 4) + if (speed == 4) { + pFF->UpdateCoordinates(*pmol); return true; // no conformer searching + } switch(speed) { case 1: