You have to set variables ntx, irest (and maybe ntrx and init).
On Tue, Nov 23, 2004 at 02:31:22AM -0800, tang kwa wrote:
> Dear all,
>
> I have performed simulation of NaCl in water box. I
> have a problem when I restarted my simulation. If the
> restart file is contained the velocity, I cannot
> restart the next step. However I can use all the
> inputs performing the simulation with the inpcrd file.
>
>
> ---------------------------------------------------
> Here I give you one of my input.
>
> &cntrl
>
> ntpr = 500, ntwx = 500,
>
> ntf = 2, ntb = 2, ntp = 1,
> ntc = 2, ntt = 1, tol = 0.00001,
> taup = 0.5, tautp = 0.5,
> cut = 14.0, nsnb = 10,
>
> nstlim = 15000, dt = 0.002,
> temp0 = 298.0, tempi = 298.0,
>
> &end
> ---------------------------------------------------
>
> could you please give me suggesstion?
>
> regards,
> TK
>
>
>
>
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Received on Tue Nov 23 2004 - 11:53:00 PST
