gmx order -sl indexing out of bounds - Redmine #2104
Archive from user: Edgar Galicia I am having problems when running “gmx\_order” utility. When I give the command -sl to divide the box into slices the utility works properly only for certain values and for others not. If option -sl 200 is selected the error presents but if a greater number as 250 is put in, the utility runs without any problem. Hope to find a solution in the meanwhile by myself. *(from redmine: issue id 2104, created on 2017-01-26 by gmxdefault, closed on 2017-03-17)* * Changesets: * Revision 48d68b706614fd1dc5c432c0d570f00c7097fbfc by David van der Spoel on 2017-02-03T21:42:30Z: ``` Fixes SEGV in gmx order. gmx order used a cumbersome floating point method to compute an index in a histogram leading to index -1. The present code is simpler and robust, in fact the old code was likely wrong. Fixes #2104 Change-Id: Ic3c15917eebe6c4964cd5cb053dfa4f05781cb73 ``` * Uploads: * [nvt3mix.tpr](/uploads/004bdcc66abbd6935b011c1b436e7dca/nvt3mix.tpr) * [order.ndx](/uploads/b82858426df925be7507145ade1846ad/order.ndx) * [nvt3mix.trr](/uploads/a01da3ee4addc41ac85eae75e47a6f2d/nvt3mix.trr)
issue