Dear community,
I am heating my system from a low 100K to 300K
for 10 pico seconds. My input file is
&cntrl
nstlim=5000, dt=0.002, ntx=1, irest=0, ntpr=500, ntwr=5000, ntwx=5000,
tempi =100.0, temp0=300.0, ntt=1, tautp=2.0, ig=209858,
ntb=1, ntp=0,
ntc=2, ntf=2,
nrespa=2,
&end
My question is that how the temperature gets increased step-wise. Is it 1K
in some amount of time or otherwise.
--
Nicholus Bhattacharjee
PhD Scholar
Department of Chemistry
University of Delhi
Delhi-110007 (INDIA)
Phone: 9873098743(M)
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Received on Fri Jan 07 2011 - 01:00:03 PST
