I’m trying to run an MD but on the NVT run, it returns me a segmentation fault (/gromacs/bin/gmx: line 17: 1052286 Segmentation fault (core dumped) /gromacs/bin. ARCH/gmxmpi @)
Moreover, it seems my box is not centering on the protein and is in cubic shape, even though I defined the box type to be a dodecahedron.
I would appreciate any insight into what could be causing this problem. I can provide any additional information (pdb file, mdp options, topology files, gmx command line inputs) as needed.
Vicente Pires