[gmx-users] error in running md.mdp

[VARSHA RANI]

Hi all,
I am running molecular dynamics for organic molecules without any solvent
using "GROMACS-5.0.7".  Initial steps ran fine till npt.mdp. But while
running mdrun after gompp using md.mdp, I got the following error:


Fatal error
" Not enough memory. Failed to allocate 2289030720 aligned elements of size
4 for grid->grid.

My system contains 3456 atoms and computer has sufficient memory of 300 GB.
md.log file is also attached here.

Any help will be appreciable.


regards