GROMACS version: 5.0.2
GROMACS modification: No
Here post your question Hello Dear Gromacs users: I want to run an equilibration using grompp, but i have the following error: With Verlet lists coulomb!=rvdw is not supported (except for coulomb>rvdw with PME electrostatics). Could you help me please? My mdp is the following:
integrator = md
dt = 0.02
nsteps = 500000
nstxout = 0
nstvout = 0
nstfout = 0
nstlog = 1000
nstxout-compressed = 1000
compressed-x-precision = 100
cutoff-scheme = Verlet
nstlist = 20
ns_type = grid
pbc = xyz
verlet-buffer-tolerance = 0.005
coulombtype = reaction-field
crcoulomb = 1.1
epsilon_r = 15 ; 2.5 (with polarizable water)
epsilon_rf = 0
vdw_type = cutoff
vdw-modifier = Potential-shift-verlet
rvdw = 1.1
tcoupl = v-rescale
tc-grps = System
tau_t = 1.0
ref_t = 310
gen-vel = yes
gen-temp = 310
Pcoupl = berendsen
Pcoupltype = semiisotropic
tau-p = 4.0
compressibility = 4.5e-5 4.5e-5
ref-p = 1.0 1.0