Entering edit mode
2.7 years ago
1961012
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when I run NVT equilibration it returns out of memory
gmx grompp -f nvt.mdp -c em.gro -r em.gro -p topol.top -o nvt.tpr
gmx mdrun -deffnm nvt
how to handle this??!
How many atoms do you have in your system ? and are you running it in local computer or on cluster ? If you are running it on local computer...how much memory does it have?