GROMACS version: 2020.3
GROMACS modification: Yes/No
I’m a beginner trying to do membrane bound protein simulation.
Upon giving the command “gmx grompp -f em_inflategro.mdp -c system_inflated.gro -p topol.top -r system_inflated.gro -o system_inflated_em.tpr” I get the following error
ERROR 1 [file topol.top, line 76514]:
ERROR: The cut-off length is longer than half the shortest box vector or
longer than the smallest box diagonal element. Increase the box size or
I checked my topol.top file (line 76514) which is actually the last line in the file stating the number of POPC molecules in [molecules] section. I have also tried resizing the simulation box but nothing seems to work.
Please guide me through it. Thank you.