[gmx-users] surface tension, Long range LJ correction, TIP4P/2005

[MD]

Hi All,

I really need to know how to apply long range LJ correction to calculate surface tension of TIP4P/2005 water. I can get 65 dyn even i use vdw cut-off = 1.4 nm, but from the reference people can get 69 dyn.
I included the LJ  Long range LJ correction using the following .mdp,
please note that i used: DispCorr  = EnerPres, which means i included the long range LJ correction for energy and pressure, but why i can get only 65 dyn for surface tension. I can see Disper. corr. in the .log file, but i saw
Table routines are used for coulomb: TRUE
Table routines are used for vdw:     FALSE
I spend two weeks on this ,but still failed to know the reason, because only myself do MD in my department. Can anyone help??

title                    = Yo
cpp                      = /usr/bin/cpp
include                  =
define                   =
integrator               = md
tinit                    = 0
dt                       = 0.001
nsteps                   = 5000000
init_step                = 0
comm-mode                = Linear
nstcomm                  = 1
comm-grps                =
bd-fric                  = 0
ld-seed                  = 1993
niter                    = 20
nstxout                  = 5000
nstvout                  = 8000
nstfout                  = 8000
nstcheckpoint            = 1000
nstlog                   = 5000
nstenergy                = 5000
nstxtcout                = 500
xtc-precision            = 1000
xtc-grps                 =
energygrps               =
nstlist                  = 5
ns_type                  = grid
pbc                      = xyz
rlist                    = 1.4
domain-decomposition     = no
coulombtype              = PME
rcoulomb-switch          = 0
rcoulomb                 = 1.4
epsilon-r                = 1
vdw-type                 = Cut-off
rvdw-switch              = 0
rvdw                     = 1.4
DispCorr                 = EnerPres
table-extension          = 1
fourierspacing           = 0.12
fourier_nx               = 0
fourier_ny               = 0
fourier_nz               = 0
pme_order                = 4
ewald_rtol               = 1e-05
ewald_geometry           = 3d
epsilon_surface          = 0
optimize_fft             = no
gb_algorithm             = Still
nstgbradii               = 1
rgbradii                 = 2
gb_saltconc              = 0
implicit_solvent         = No
Tcoupl                   = v-rescale
tc-grps                  = System
tau_t                    = 0.1
ref_t                    = 300
Pcoupl                   = no
Pcoupltype               = isotropic
tau_p                    = 1
compressibility          = 4.5e-5
ref_p                    = 1.0
andersen_seed            = 815131
annealing                = no
annealing_npoints        =
annealing_time           =
annealing_temp           =
gen_vel                  = yes
gen_temp                 = 300
gen_seed                 = 1993
constraints              = none
constraint-algorithm     = Lincs
unconstrained-start      = no
Shake-SOR                = no
shake-tol                = 1e-04
lincs-order              = 4
lincs-iter               = 1
lincs-warnangle          = 30
morse                    = no











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