On Fri, Feb 23, 2018, KRIPI TOMAR wrote:
>
> I am trying to simulate a DNA system with Amber16 sander.MPI ,it gives a
> problem in the equilibration .
Make sure that you have minimized the system well before running
equilibration. Try a sample simulation with nmropt=0: maybe the problem
is coming from your restraints.
> Keep DNA fixed with weak restraints
> 10.0
Just a note: this is actually a "strong" restraint.
....dac
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Received on Fri Feb 23 2018 - 05:30:04 PST
