[gmx-users] Invalid order for directive bondtypes

Atila Petrosian atila.petrosian at gmail.com
Mon Oct 6 16:00:13 CEST 2014


my em.mdp file is as follows:

integrator               = steep
nsteps                   = 50000
nstcomm                  = 1
emtol                    = 10
emstep                   = 0.01
ns_type                  = grid
rlist                    = 0.8
coulombtype              = cut-off
vdwtype                  = Cut-off
rcoulomb                 = 0.8
rvdw                     = 0.8
tcoupl                   = no
pcoupl                   = no
gen_vel                  = no
constraints              = none
periodic_molecules       = yes


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