gromacs returns out of memory error in NVT equilibration step
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9 weeks ago
1961012 ▴ 10

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

enter image description here

how to handle this??!

simulation gromacs NVT equilibiration • 134 views
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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?

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