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 - 10:53:00 PST
