[gmx-users] Error during nvt: Not enough memory. Failed to allocate 3425307227 aligned elements of size 4 for grid->grid. What is happening

Li, J. jing.li at rug.nl
Mon Apr 10 14:12:19 CEST 2017

This error appeared when I tried to do a NVT simulation. The simulation box
is 768.00000 768.00000 768.00000 [nm**3], in which there are 90000 atoms.
The force-field is OPLSAA. I attached the md parameter file for this
simulation. Hope someone who can help me find the problem. Thanks in


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