| |
Process ID: 1371
Input file: step4_merge_all.inp
<< *file backup function is disabled
<< Modar log message will be saved to file "step4_merge_all.log"
|
| Summary of MD system:
| number of segments: 3
| number of residues: 6996
| number of atoms: 21424
| number of bonds: 21404
| number of angles: 8025
| number of dihedrals: 1588
| number of impropers: 92
| number of cross terms: 34
| net charge: 3.10862446895e-15
| total mass: 130076.2386
| PBC box: Cubic, 60 x 60 x 60
|
| output files:
| step4_all.msf
| step4_all.pdb
|
| it's time to check the whole MD system by Movar or VMD
| it's ready to go next step to do minimization:
| ./modar -nobak step5_do_minimization.inp
|
<< Job done.
<< Thank you and enjoy the simulation! |
|
