Using GPU to run NVT, NPT and MD run

GROMACS version:
GROMACS modification: Yes/No
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I need to run md simulation on my protein with an unnatural residue (formyl glycine). so I had to download charmm27.ff from SwissSidechain - A database of non-natural sidechains server to create the required topology. Then used 2 versions of GROMACS. the first one is gromacs-2016.4 applied to make topology, solavation and energy minimization . the second one is applied to run NVT/NPT and MD on GPU. but when issued this command
gmx mdrun -deffnm md_0_1 -nb gpu
to run NVT on GPU , faced this error:
can not run short-ranged nonbonded interactions on a GPU because there is no detected.
the NVT.mdp file which I used is:
title = CHARMM27 ARSA NVT equilibration
define = -DUSE_OLD_C36m
; Run parameters
integrator = md ; leap-frog integrator
nsteps = 200000 ; 2 * 200000 = 400 ps
dt = 0.002 ; 2 fs
; Output control
nstxout = 500 ; save coordinates every 1.0 ps
nstvout = 500 ; save velocities every 1.0 ps
nstenergy = 500 ; save energies every 1.0 ps
nstlog = 500 ; update log file every 1.0 ps
; Bond parameters
continuation = no ; first dynamics run
constraint_algorithm = lincs ; holonomic constraints
constraints = h-bonds ; all bonds (even heavy atom-H bonds) constrained
lincs_iter = 1 ; accuracy of LINCS
lincs_order = 4 ; also related to accuracy
; Neighborsearching
cutoff-scheme = Verlet
ns_type = grid ; search neighboring grid cells
nstlist = 10 ; 20 fs, largely irrelevant with Verlet
rcoulomb = 1.2 ; short-range electrostatic cutoff (in nm)
rvdw = 1.2 ; short-range van der Waals cutoff (in nm)
vdwtype = cutoff
vdw-modifier = force-switch
rlist = 1.2
rvdw-switch = 1.0
; Electrostatics
coulombtype = PME ; Particle Mesh Ewald for long-range electrostatics
pme_order = 4 ; cubic interpolation
fourierspacing = 0.16 ; grid spacing for FFT
; Temperature coupling is on
tcoupl = V-rescale ; modified Berendsen thermostat
tc-grps = Protein Non-Protein ; two coupling groups - more accurate
tau_t = 0.1 0.1 ; time constant, in ps
ref_t = 300 300 ; reference temperature, one for each group, in K
; Pressure coupling is off
pcoupl = no ; no pressure coupling in NVT
; Periodic boundary conditions
pbc = xyz ; 3-D PBC
; Dispersion correction
DispCorr = no ; account for cut-off vdW scheme
; Velocity generation
gen_vel = yes ; assign velocities from Maxwell distribution
gen_temp = 300 ; temperature for Maxwell distribution
gen_seed = -1 ; generate a random seed

I would be really grateful if anyone can help me to understand and solve it out.

sincerly
Farial

Hi,
you wrote that you use two GROMACS version, one is 2016.4 and which is the other one?
\Alessandra

Dear Alevia

Sorry for making mistake
the second one is GROMACS 2018.0

sincerely

Farial

Hi,
Have you generate the tpr file for NVT/NPT simulations using version 2018?
What exactly says the error you got?
Best regards
Alessandra