Modar Tutorial
Example 4: Villin headpiece simulation
     step2 on screen log message:

 
Process ID: 1121
Input file: step3_add_ions.inp
<< *file backup function is disabled
<< Modar log message will be saved to file "step3_add_ions.log"
 using method: hybrid
|  ion concentration is 0.1 mol/ml
|  anion is POT
|  cation is CLA
|  number of POT need to add: 12
|  number of CLA need to add: 14
|  adding ions ...
|  it may take a few minitues, please wait a while
|  adding ions using hybrid method
|    adding a CLA, 1/14  using bs method
|    adding a CLA, 2/14  using bs method
|    adding a POT, 1/12  using bs method
|    adding a CLA, 3/14  using bs method
|    adding a POT, 2/12  using mc method
|    adding a CLA, 4/14  using bs method
|    adding a POT, 3/12  using mc method
|    adding a CLA, 5/14  using mc method
|    adding a CLA, 6/14  using mc method
|    adding a POT, 4/12  using bs method
|    adding a CLA, 7/14  using mc method
|    adding a POT, 5/12  using bs method
|    adding a CLA, 8/14  using mc method
|    adding a POT, 6/12  using bs method
|    adding a CLA, 9/14  using mc method
|    adding a POT, 7/12  using bs method
|    adding a CLA, 10/14  using mc method
|    adding a POT, 8/12  using bs method
|    adding a CLA, 11/14  using mc method
|    adding a POT, 9/12  using bs method
|    adding a CLA, 12/14  using mc method
|    adding a POT, 10/12  using bs method
|    adding a CLA, 13/14  using mc method
|    adding a POT, 11/12  using bs method
|    adding a CLA, 14/14  using mc method
|    adding a POT, 12/12  using bs method
|  output files:
|    step3_with_ions.msf
|    step3_with_ions.pdb
|
|  it's ready to go next step to put all stuff together:
|    ./modar -nobak step4_merge_all.inp
<< Job done.
<< Thank you and enjoy the simulation! 

 

 

 

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