[gmx-users] Fatal error of mdrun

[Binbin Liu]

Hello there,
When I tyied to do energy minimisation with mdrun. The program gave error 
message: 

Fatal error: ci = -2147483648 should be in 0 .. 2196 [FILE nsgrid.c, LINE 218]

What is wrong with GROMACS? How can I fix it?

The .mdp file used to generate .tpr is:
title           = Minimization
cpp             = /usr/bin/cpp          ; Preprocessor
define          = -DPOSRE               ; tell grompp to include posre.itp 
using position restraints
include         = -I /local directory
integrator      = steep                 
emtol           = 1.0                   
emstep          = 0.01                  ; initial step-size [nm]
nsteps          = 5000                  
nstenergy       = 100                   
nstxtcout       = 100                   
xtc_grps        = Protein OCT SOL       
energygrps      = Protein OCT SOL       

nstlist         = 10                    
ns_type         = grid                  
rlist           = 1.0                  
coulombtype     = cut-off             
rcoulomb        = 1.4                   
vdwtype         = cut-off           
rvdw            = 1.3                  
constraints     = none                
pbc             = xyz                   
;freeze protein
freezegrps      =  Protein K+      KS
freezedim       =  Y Y Y   Y Y N  Y Y N
energygrp_excl  = Protein Protein SOL SOL

Thank you!

Binbin