[gmx-users] help me (Fatal error: ci = -2147483648 should be in 0 .. 12166 [FILE nsgrid.c, LINE 210]

Mauricio Arenas Salinas marenas at usach.cl
Wed Dec 3 04:00:01 CET 2003


hi all:

I am trying to run a Md of a protein but she throws the 
following error:
Back Off! I just backed up traj.xtc to ./#traj.xtc.3#
Fatal error: ci = -2147483648 should be in 0 .. 12166 
[FILE nsgrid.c, LINE 210]
that it means?  and as I can solve it? 
this it is my file of md.mdp:

cpp = /lib/cpp
include = -I../top
;constraints = all-bonds
integrator = md
dt = 0.001
nsteps = 1000 ; 1 ps
nstcomm        = 1
; collect data every  ps
nstxout = 5000
nstvout = 0
nstfout = 0
nstlog = 0
nstenergy = 250
nstxtcout = 250
xtc_grps = Protein 
energygrps = Protein Sol
nstlist = 10
ns_type = grid
pbc: xyz
rlist = 0.8
coulombtype = PME
rcoulomb = 0.8
pme_order      = 4
fourierspacing = 0.12
fourier_nx     = 0
fourier_ny     = 0
fourier_nz     = 0 
rvdw           = 0.8
ewald_rtol     = 1e-5
optimize_fft   = no
; Berendsen temperature coupling is on in two groups
tcoupl = Berendsen
tc-grps = Protein Sol 
tau_t = 0.1 0.1
ref_t = 300 300
; Pressure coupling is on
Pcoupl = no
tau_p = 1.0
ref_p = 1.0
; Generate velocites is on at 300 K.
gen_vel = no

thank you very much.


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rompe su sed en tu implacable estatua:
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