[AMBER] Heating the system from 100K to 300K

From: nicholus bhattacharjee <nicholusbhattacharjee.gmail.com>
Date: Fri, 7 Jan 2011 03:44:38 -0500

Dear community,
                            I am heating my system from a low 100K to 300K
for 10 pico seconds. My input file is

  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,

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
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