[gmx-users] Particle Insertion with Buckingham Potential
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
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?
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users