here's the .in file i am currently using :
heat.in
&cntrl
imin = 0,
irest = 0,
ntx = 1,
ntb = 1,
cut = 8.0,
ntr = 1,
ntc = 2,
ntf = 2,
tempi = 0.0,
temp0 = 300.0,
ntt = 3,
gamma_ln = 2.0,
nstlim = 1000, dt = 0.001,
ntpr = 1, ntwx = 1
/
and this is the output i get:
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Amber 10 SANDER 2008
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Received on Thu Aug 11 2011 - 00:00:02 PDT
