GIBBS - ERROR: Restraint read error from RSTIN; Check format:

From: Miguel de Federico <miguel_at_qorws1.uab.es>
Date: Tue 26 Nov 2002 10:14:19 +0100

 I'm trying to do a PMF calculation, and I got this error:
...
                READING ATOMIC COORDINATES AND VELOCITIES
                  -----------------------------------------

 Title: AA

ERROR: Restraint read error from RSTIN; Check format:
   38

 I suppose the format of the restraints is not correct. ┐Could anybody
send me a sample input file por a PMF calculation, or make any
suggestion?

Here is my actual imput file:

Calculo de PMF
Temperatura constante 298k
Presion constante
 &cntrl
  ntx=1, ntb=2, intr=2,
  ntt=1, temp0=298.0, tautp=0.2,
  ntp=1, taup=0.2, isvat=1,
  nstlim=-1,
  ntc=2, scee=1.2,
  ntpr=100, ntpr=100, ntwprt=-1,
  ncorc=1,
  almdel=0.1, isldyn=-3, nstmeq=5, nstmul=5,
  ndmpmc=100,
 &end
   38 62 0 0 0 0 2 0.00 1.00
 10.0 8.00 10.0 20.0 0 0
   38 125 0 0 0 0 2 0.00 1.00
 10.0 8.00 10.0 20.0 0 0


 Thank you for any help,


Miguel.
Received on Tue Nov 26 2002 - 01:14:19 PST
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