Segmentation Fault when using pull-group1-pbcatom = -1 option - Redmine #3023
Archive from user: Amanuel Wolde-Kidan When using grompp on a system with pull-group1-pbcatom option set to –1 in the mdp file a segmentation fault is encountered. Values of pull-group1-pbcatom = 0 work. The option pull-group1-pbcatom = –1 works in gromacs 2018. A simple water box test case is attached. *(from redmine: issue id 3023, created on 2019-07-04 by gmxdefault, closed on 2019-08-22)* * Changesets: * Revision 457d046bd141a7258cfda4614a23709d911adaab by Berk Hess on 2019-07-29T11:45:34Z: ``` Fix segmentation fault with cosine pulling Both grompp and mdrun would fail with a segmentation fault when using cosine-weighted COM pulling. Fixes #3023 Change-Id: I6342a579251d21ba07a42d23ce578ae1e20c3286 ``` * Uploads: * [test_case.zip](/uploads/ec5b62a0c9d35a65f8fce106cc562e37/test_case.zip)
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