Archive from user: Shun Sakuraba While using gmx spatial I encountered multiple problems. After reading the source I also found multiple problems that corrupts the results of the analysis (especially the wrong number of grid counts and incorrect coordinates are problematic ones). 1. Out-of-bound memory writes 2. Confusing error message when the coordinate is exactly on the boundary (happens with .xtc files) 3. Norm may become negative due to overflow 4. Having negative iIGNOREOUTER (default –1) led to incorrect number of grid points 5. The coordinates of the grid points were incorrect especially when iIGNOREOUTER is non-zero 6. Norm calculation was incorrect Attached patches should solve the problems. *(from redmine: issue id 3214, created on 2019-11-25 by gmxdefault)* * Uploads: * [0001-Fixed-out-of-bound-access-in-gmx-spatial.patch](/uploads/721beca613e842e6679d7f78e7e7c879/0001-Fixed-out-of-bound-access-in-gmx-spatial.patch) Fixes (1) * [0003-Fixed-multiple-issues-with-gmx-spatial.patch](/uploads/987e2d7164dc0c148794d14720d39743/0003-Fixed-multiple-issues-with-gmx-spatial.patch) Fixes (3)-(6) * [0002-Fixed-incorrect-boundary-conditions-in-gmx-spatial.patch](/uploads/99020048d23b10f1cecd7b29fda5bb73/0002-Fixed-incorrect-boundary-conditions-in-gmx-spatial.patch) Fixes (1), (2)