GROMACS version: 2023 GROMACS modification: No Hi! I am trying to run the following line in gromacs 2023 srun gmx_mpi rms -s $HOME/gromacs/topol.tpr -f $HOME/mygromacs/dir/topol.cpt Every time I do so, I get the same error: Fatal error: Cannot read from input This is the output on .err file: Reading file /home/ulc/cursos/curso373/gromacs/topol.tpr, VERSION 2020 (single pre…

GROMACS version:2022.3 Hi, While doing a NPT run on 27450 atoms, a fatal error was appeared: The X-size of the box (7.197502) times the triclinic skew factor (1.000000) is smaller than the number of DD cells (12) times the smallest allowed cell size (0.599789). I would greatly appreciate any help to deal with this problem. 1 post - 1 participant Read …