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! |