When I'm running a simulation in explicit water,I have face an unusual thing.
My system sticking in a step of simulation and not going forward.
what is cause this problem?
My Input File:
initial relaxation of 5nt ribozyme
&cntrl
imin = 0,irest =1, ntx = 7,
tempi = 300.0, temp0 = 300.0,
ntp = 1,
ntt = 3, gamma_ln =1,
ntb = 2,
ntc = 2, ntf = 2,
nstlim = 10000000,dt = 0.002,
ntpr = 100, ntwx = 100, ntwr = 1000,
cut = 12
/
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Received on Sat Feb 25 2012 - 06:00:03 PST
