Hi again.
Sorry for the messed up input file.
Here it is again:
density equilibration
&cntrl
imin = 0, ntx = 1, irest = 0,
ntpr = 2500, ntwr = 10000, ntwx = 0,
ntf = 1, ntc = 2,
ntb = 1, cut = 9.0,
nstlim = 25000, dt = 0.002,
temp0 = 300.0, ntt = 3, gamma_ln = 5,
ntp = 0,
icfe = 1, clambda = 0.1,
tempi = 0.1, temp0 = 300.0,
nmropt = 1,
/
&wt
TYPE='TEMP0',
istep1 = 0, istep2 = 10000,
value1 = 0.1, value2 = 300.0, /
&wt TYPE='END' /
ifsc=1
crgmask='.1205-1216,2775-2786',
scmask='.1205-1216,2775-2786',
noshakemask='.1205-1216,2775-2786',
&end
greets
Oliver
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Received on Tue Jan 05 2010 - 07:00:02 PST
