[gmx-users] problem

[Alex]

Dear all,
In my NVT production simulation, I get several LINCS warning in step number
2600 which crashes the simulation. I know the reason might be the
instability or not being well equilibrated system, but the point is that
the below equilibration steps have been conducted successfully before the
NVT production.

2 minimisation,
1 NVT equilibration at T =600 (1.5 ns)
1 NpT equilibration 3.5 ns
1 NVT equilibration at T =298.15 (1 ns)
1 NpT equilibration 7 ns
-----------
Below is my prd.mdp file and the link is my log files, I would be so
appreciated if you could let me know what might be the reason;

https://drive.google.com/open?id=11BeWr6TToh2vJhtWARTJKVeBInt5CSlt

https://drive.google.com/open?id=1Ijg8u9ywvFqXZcybRPjnvMxGOy7OI3FK
------------------------
title                    = GPS
integrator               = md
dt                       = 0.002     ; 2 fs
nsteps                   = 6000000   ;12 ns
xtc-precision            = 2000
nstlist                  = 40

nstxout                  = 1000
nstvout                  = 1000
nstfout                  = 0
nstlog                   = 2000
nstcalcenergy            = 100
nstenergy                = 200
nstxout-compressed       = 500

continuation             = yes
gen-vel                  = no
;gen-temp                 = 298.15
;gen-seed                 = 173529

constraint-algorithm     = lincs
constraints              = h-bonds

cutoff-scheme            = Verlet

coulombtype              = PME
rcoulomb                 = 1.3

vdwtype                  = Cut-off
rvdw                     = 1.3
DispCorr                 = EnerPres

tcoupl                   = v-rescale    ;;berendsen  ;Nose-Hoover
tc-grps                  =T1GPS
tau-t                    = 1.0
ref-t                    = 298.15
nhchainlength            = 1
pbc                      = xyz

pcoupl                   = no           ;berendsen
;;Parrinello-Rahman
;Pcoupltype               = isotropic          ;semiisotropic
;tau_p                    = 2.5
;compressibility          = 4.46e-5            ;0.0 4.46e-5
;ref_p                    = 1.0                ;1.0 1.0
refcoord-scaling         = com

Thank you.
Regards,
Alex