[gmx-users] Fatal error: Could not write energies

[sudheer babu]

HI gmx-users,
Iam simulating POPC lipids in water,I have done minimisation,equilibration
and production, Till 2ns ran fine  but when iam trying to run 2.5 ns run mid
of the simulation at 18650 step it crashed and showed error
Pls suggest me
my md.mdp file is

title               =   popc_prod
constraints         =  all-bonds
integrator          =  md
dt                  =  0.002    ; ps !
nsteps              =  250000   ; total 50 ps.
nstcomm             =  1
nstxout             =  100
nstlog              =  100
nstenergy           =  100
nstlist             =  10
ns_type             =  grid
rlist               =  0.9
coulombtype         =  PME
rcoulomb            =  0.9
rvdw                =  1.4
pbc                 =  xyz
; Berendsen temperature coupling is on in two groups
Tcoupl              =  Berendsen
tc-grps             =  POPC     SOL
tau_t               =  0.1      0.1
ref_t               =  323      323
; Anisotropic pressure coupling is now on
Pcoupl              =  berendsen
pcoupltype          =  anisotropic
tau_p               =  1.0      1.0     1.0     0        0       0
compressibility     =  4.5e-5   4.5e-5  4.5e-5  0        0       0
ref_p               =  1.0      1.0     1.0     0        0       0
; Energy monitoring
energygrps          =  POPC     SOL
; Generate velocites is on at 300 K.
gen_vel             =  no
gen_temp            =  323
gen_seed            =  173529

Thanks in
advance~

~

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