[gmx-users] equilibration + Segmentation fault

[Nilesh Dhumal]

Hello,

I am trying to equilibrate my system, ionic liquids. My simulations gets
stop immediately. I reduced the step size. I modified  initial structure.
I  changed the box size. I checked  force field parameters. I am using
opls foce field. I repeated my energy minimization 2-3 times. I could not
solve the problem. Every time i am geting following error message.

step 0Warning: 1-4 interaction between 20 and 27 at distance 3.803 which
is larger than the 1-4 table size 2.400 nm
These are ignored for the rest of the simulation
This usually means your system is exploding,
if not, you should increase table-extension in your mdp file
or with user tables increase the table size
Segmentation fault



Can you tell me how to solve this problem.
Here I have pasted the eqilibration file.
Nilesh

title               =  cpeptid position restraining
cpp                 =  /usr/bin/cpp
constraints         =  none
integrator          =  md
dt                  =  0.001    ; ps !
nsteps              =  100000      ; total 1.0 ps.
nstcomm             =  1
nstxout             =  10000
nstvout             =  10000
nstfout             =  0
nstlog              =  10
nstenergy           =  10
nstlist             =  10
ns_type             =  grid
rlist               =  1.0
coulombtype         = PME
vdwtype             = cut-off
rcoulomb            =  1.0
rvdw                =  1.4
fourierspacing      = 0.12
fourier_nx               = 0
fourier_ny               = 0
fourier_nz               = 0
pme_order           = 4
ewald_rtol          = 1e-5
optimize_fft        = yes
; Berendsen temperature coupling is on
Tcoupl = v-rescale
tau_t = 0.1
tc-grps  =system
ref_t =   300
; Pressure coupling is  on
Pcoupl              = parrinello-rahman
pcoupltype          = isotropic
tau_p               =  0.5
compressibility     =  4.5e-5
ref_p               =  1.0
; Generate velocites is on at 300 K.
gen_vel             =  yes
gen_temp            =  300.0
gen_seed            =  173529