[gmx-users] Particle Insertion with Buckingham Potential

Tina Wang ttwang at princeton.edu
Tue Apr 10 23:48:53 CEST 2012

I switched the potential calculation from Lennard-Jones to Buckingham.
After the switch, the simulations that I submit encounter the following

Fatal error:
Not enough memory. Failed to realloc 2812110160 byes for *bin,
*bin=0x83fd1008 (called from file tpi.c, line 109).

I find this puzzling since the simulations worked fine with the
Lennard-Jones parameters. I see no reason why switching to Buckingham would
cause a memory error. The same error occurred for three different
simulation systems. Any ideas?
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