[gmx-users] Error while using pbc = xy Segmentation fault (core dumped)

[Tushar Ranjan Moharana]

Hi everyone,
I want to use PBC only in xy direction but get error  "Segmentation fault
(core dumped)" during energy minimization. I am using CHARM36 force field
and my .mdp file is

integrator    = steep
emtol        = 1000.0
emstep      = 0.01
nsteps        = 50000
nstlist            = 20
cutoff-scheme   = Verlet
ns_type            = grid
coulombtype        = cut-off
rcoulomb        = 1.2
rvdw            = 1.2
pbc        = xy
nwall        = 2
wall-type    = 10-4
wall-atomtype    = CR CR
wall-density    = 5 5
ewald-geometry    = 3dc

Everything is fine when using pbc = xyz and removing subsequent line.

Please help me in solving the problem. Thanks a lot.

-- 
Tushar Ranjan Moharana
B. Tech, NIT Warangal
Ph D Student, CCMB