Hi!
I'm trying to simulate a small nucleic acid molecule (5 nt) in implicit solvent and constant temperature (300 K).
But i got a broad range of temperature from 250 K to 350 K.
Why? And How i can solve this problem?
This is my MD input file:
&cntrl
imin = 0,
ntb = 0,igb=1,
ntt = 3, gamma_ln = 1.0,
tempi = 300, temp0 = 300,
nstlim = 100000000, dt = 0.001,
ntpr = 100, ntwx = 100, ntwr = 1000
cut = 12.0
/
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Received on Fri Feb 24 2012 - 12:00:02 PST
