Run parameters
integrator = md ;
nsteps = 5000000 ; 2 * 5000000 = 10000 ps (10 ns)
dt = 0.002 ; 2 fs
This is the way I am running md simulation currently. is it correct?
I also need help in this.
Did you a solution of this?
Yep, that's right.
dt sets your time interval for calculations.
nsteps sets how long you want the production run to be
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