Hi,
I was doing 5 stages of 2ns MD runs on amber9. Till stage 3 , I get all
the outputs as needed. However, in stage 4 there is no output beyond a
particular step (shown below), there is sort of "inactivity" from there
onwards -
in the "mdout" , there is no progress from (at stage 4 of production run) -
Molecular dynamics:
nstlim = 2000000, nscm = 1000, nrespa = 1
t = 0.00000, dt = 0.00100, vlimit = 20.00000
Langevin dynamics temperature regulation:
ig = 71277
temp0 = 300.00000, tempi = 0.00000, gamma_ln= 1.00000
| INFO: Old style inpcrd file read
--------------------------------------------------------------------------------
3. ATOMIC COORDINATES AND VELOCITIES
--------------------------------------------------------------------------------
This has been the situation for more than 24hrs now. Any ideas/help???
Thanks
Vijay
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Received on Sun Nov 04 2007 - 06:07:59 PST
