[gmx-users] Setting total simulation time

[Mark Abraham]

Try smaller numbers and periods for a test run, and see the machinery work.
gmxcheck on the output files is your friend!

Mark


On Mon, Jun 3, 2013 at 4:40 PM, Parker de Waal <Parker.deWaal09 at kzoo.edu>wrote:

> 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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