[gmx-users] Energy Minimize problem about converge!!

[nanyu101]

Dear gmx-users,
  When I run energy minimize,my system told me that it can converge.And my starting structure is formal.It's the information that system told:
Steepest Descents:
   Tolerance         =  1.00000e+02
   Number of steps   =       250000

Stepsize too small (9.79552e-07 nm)Converged to machine precision,
but not to the requested precision (100)

writing lowest energy coordinates.

Steepest Descents did not converge in 32 steps
  Potential Energy  =  1.49787e+04
Maximum force:  1.35434e+03

My em.mdp is below;
;
;	User spoel (236)
;	Wed Nov  3 17:12:44 1993
;	Input file
;
cpp                 =  /lib/cpp
define              =  -DFLEX_SPC
constraints         =  none
integrator          =  steep
emtol               =  10
emstep              =  0.02
nsteps              =  50000
nstcgsteep          =  1000
pbc                 =  xyz
nstxout             =  500
nstvout             =  500
nstlog              =  500
nstlist             =  10
ns_type             =  grid
rlist               =  1.0
rcoulomb            =  1.0
rvdw                =  1.0
tcoupl              =  no
Pcoupl              =  Berendsen
tau_p               =  1.0
compressibility     =  4.5e-5
ref_p               =  1.0
gen_vel             =  yes
gen_temp            =  500
gen_seed            =  173529


Was it wrong?If it's right,are there possible my topology file wrong or my force field wrong,such as proper and improper dihedrals,angles and bonds? Thanks for your help.

Best wishes,
Xianhui Wu
______________________________________

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