[gmx-users] Problems with SA: temp not changing

[Monika Sharma]

Dear All,
I am trying to minimize a protein using Simulated Annealing method 
implemented in Gromacs3.3. I am giving the annealing points a 4 for temp 
400,350,300,250 for 10ps, but i am not getting the temperature change in 
the log. Its just coming as 0 temperature only. I am using Langevin 
dynamics for  temperature control. Here is my mdp file:

title           = TGR model minimization thru SA
cpp             = /lib/cpp
define          = -DFLEXIBLE
constraints     = none
integrator      = steep
nsteps          = 50000
dt                   =  0.02
init_step       = 0
;langevin dynamics
bd_fric         = 1
ld_seed         = 1993
;minimization
emtol           = 100
emstep          = 1.0
;output control
nstxout         = 100
nstvout         = 100
nstfout         = 100
nstlog          = 100
nstenergy       = 100
nstxtcout       = 100
xtc_precision   = 1000
xtc_grps        =
energygrps      =
; Neighbor searching
nstlist         = 10
ns_type         = grid
pbc             = xyz
rlist           = 1.5
; electrostatics
coulombtype     = PME
rcoulomb        = 1.5
epsilon_r       = 1.0
; van der waals params
vdwtype         = cutoff
rvdw            = 2.0
; table params
table-extension = 3
;PME params for ewald calc.
fourierspacing  = 0.15
fourier_nx      = 0
fourier_ny      = 0
fourier_nz      = 0
pme_order       = 4
ewald_rtol      = 1e-5
optimize_fft    = yes
; temperature coupling
tcoupl          = no
; pressure coupling
pcoupl          = berendsen
pcoupltype      = isotropic
tau_p           = 1.2
compressibility = 4.5e-5
ref_p           = 1.01325
; simulated annealing params
annealing       = single
annealing_npoints = 4
annealing_time  =  0   10    10    10
annealing_temp  = 400  350  300  250
;velocity generation
gen_vel           = no
gen_temp        = 400
gen_seed        = 1732529

If somebody can figure out what i am missing out, it will really be a 
great help..
thanks in advance,
regards,
Monika