AMBER Archive (2003)

Subject: no MD output

From: Youyi Peng (pengyo_at_UMDNJ.EDU)
Date: Mon May 12 2003 - 14:01:47 CDT

Dear Amber users:
  I ran a 100ps MD two times. During MD running, the energy summaries
were output to the output file. I checked the output file with 'more'
and 'tail'. After the MD finished, the summaries were gone in the output
file. There is no any output in the .out file. BUt the restrt and mdcrd
files were both output normally. The mdin file worked correctly for
previous MD run. What caused the problem?
 Thanks! -----Youyi

This is the input file:
&cntrl
  nmropt = 0,
  ntx = 5, irest = 1, ntrx = 1, ntxo = 1,
  ntpr = 1000, ntwx = 1000, ntwv = 0, ntwe = 0,

  ntf = 1, ntb = 0,
  cut = 13.0, nsnb = 10, dielc=4.0

  ibelly = 0, ntr = 0,

  imin = 0,
  nstlim = 100000,
  nscm = 500,
  dt = 0.001,

  temp0 = 300.0, tempi = 300.0,
  heat = 0.0,
  ntt = 1,
  tautp = 2.0,
  vlimit = 20.0,

  ntc = 1, tol = 0.00001,
 &end

 &ewald
   eedmeth=5,
 &end