Dear Amber users,
I have some problem with the binary format restart file.
I got a binary restart file with the option ntxo=0 from the previous run.
Then I tried to start the next MD run with the following mdin:
&cntrl
irest = 1, ntx = 6,
nstlim = 20000, dt = 0.001, nsnb = 10,
ntxo = 0, ntwr = 100,
ntt = 1, temp0 = 298.0,
cut = 9.0, scee = 1.2,
ntb = 2, ntp = 2,
ntf = 2, ntc = 2,
ntwx = 500, iwrap = 1, ioutfm = 1,
ntpr = 1,
&end
But I got the following errer:
forrtl: severe (64): input conversion error, unit -5, file Internal
Formatted Read
The last part of mdout file is as follows (there is no message about error.):
| Flags: MPI
getting new box info from bottom of inpcrd
| INFO: Old style inpcrd file read
Could you let me know what is wrong?
Sincerely,
Kijeong.
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Received on Fri Apr 18 2008 - 21:14:18 PDT
