[AMBER] error in naming list problem

From: Sushi Shilpa <sushishilpa.gmail.com>
Date: Mon, 20 Jan 2014 09:51:22 +0530

Dear sir,


I am simulating 120 amino acids protein in that we have already solved 109
residues structure, the structure of the last 11 residue is missing, I want
to hold till 94 while heating, I used input file like this
Stage 1 heating of 0 to 300K
 &cntrl

  imin=0, irest=1,
ntx=5,
  nstlim=10000,
dt=0.002,
  ntc=2,
ntf=2,gsba=1,
  ntp=0,
taup=0.2,
  ntt=3,
gamma_ln=2.0,
  tempi=0.0,
temp0=300.0,
  ntpr=500,
ntwx=500,
  ntb=0,
igb=8,

cut=999.,rgbmax=999.

 /

Hold fixed
5.0

RES 1
94
END

END



 error in reading namelist cntrl

I got error like this what command I should use can you please find the
mistakes

Thanks in advance

Regards

Shilpa T
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Received on Sun Jan 19 2014 - 20:30:03 PST
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