[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.
"El alto invierno besa tu armadura
y te cubre de labios destruidos:
la primavera de violento aroma
rompe su sed en tu implacable estatua:
y el grave otoño espera inútilmente
derramar oro en tu estatura verde."
ARAUCARIA, PABLO NERUDA
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