[gmx-users] Setting total simulation time

Parker de Waal Parker.deWaal09 at kzoo.edu
Mon Jun 3 16:40:47 CEST 2013


Hi GMX-users,

If I wanted to run a 1 ns simulation take snapshots every 1 ps would these
be the correct input parameters?

Thanks!

; Run parameters
integrator      = md
nsteps          = 500000
dt              = 0.002
; Output control
nstxout         = 1000
nstvout         = 1000
nstenergy       = 1000
nstlog          = 1000



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