[gmx-users] error in mdrun

[Luke Czapla]

Hi all,

  I am trying to run a box with 8 very small peptides in it.  When I go to
use mdrun (I processed this system using genconf to make a 2x2x2
box of single peptide, then used pdb2gmx to generate a new topology), I
get the following error:

Fatal error: ci = -2147483648 should be in 0 .. 335 [FILE nsgrid.c, LINE
210]

I'm using the latest version of GROMACS and have no idea why this would
happen, it looks like a programming error.  Does anyone have any idea what
causes this?  Thank you

sincerely,
Luke