Strictly speaking it should be 0.25fs, you can try
longer steps but watch your simulation carefully
for instability.
jim
On Mon, 26 Feb 2001, Bill Ross wrote:
> My question is, can I run MD for solvated DNA with SHAKE
> turned off? What settings should I use to make sure the
> simulation runs smoothly?
>
> Timestep = 1 fs instead of 2 is the common practise, I believe.
>
> Bill Ross
>
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Received on Tue Feb 27 2001 - 07:04:25 PST
