[gmx-users] fatal error in mdrun

Luke Czapla czapla at rutchem.rutgers.edu
Fri Jan 4 18:57:47 CET 2002


  I'm trying to simulate Polyethylene glycol in water.   I generated some
entries in the rtp file based on ethanol and charges/parameters from a
paper by Muller-Plathe (Acta Polymerica 45, 259-293 (1994)).  I get this
error when I go to run my energy minimization:

Fatal error: ci = -2147483648 should be in 0 .. 251 [FILE nsgrid.c, LINE

What is the nature of this sort of error?  I would like to fix what I'm
doing so I can run the simulation even if the parameters are not exactly

Luke Czapla

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