
          -------------------------------------------------------
          Amber 14 SANDER                              2014
          -------------------------------------------------------

| Run on 06/15/2014 at 12:35:58

|   Executable path: /home/yuqingfen/software/amber14/bin/sander
| Working directory: /home/yuqingfen/software/amber14/test/sebomd/MNDO/dimethylether
|          Hostname: node8

  [-O]verwriting output

File Assignments:
|  MDIN: min_yu.in                                                             
| MDOUT: min_yu.out                                                            
|INPCRD: mol.inpcrd                                                            
|  PARM: mol.prmtop                                                            
|RESTRT: min_yu.rst                                                            
|  REFC: refc                                                                  
| MDVEL: min_yu.vel                                                            
| MDFRC: mdfrc                                                                 
|  MDEN: min_yu.ene                                                            
| MDCRD: min_yu.crd                                                            
|MDINFO: min_yu.mdinfo                                                         
|  MTMD: mtmd                                                                  
|INPDIP: inpdip                                                                
|RSTDIP: rstdip                                                                
|INPTRA: inptraj                                                               


 Here is the input file:

Title                                                                          
&cntrl                                                                         
  imin = 1,                                                                    
  ntmin = 2,                                                                   
  maxcyc = 10,                                                                 
  ntb = 0,                                                                     
  ntpr = 1,                                                                    
  cut = 100.00,                                                                
  ifqnt = 1,                                                                   
/                                                                              
&qmmm                                                                          
  qm_theory= 'SEBOMD',                                                         
/                                                                              
&sebomd                                                                        
  hamiltonian = 'MNDO',                                                        
  charge = 0,                                                                  
  fullscf = 1,                                                                 
  screen = 2,                                                                  
  ipolyn = 0,                                                                  
/                                                                              

--------------------------------------------------------------------------------
   1.  RESOURCE   USE: 
--------------------------------------------------------------------------------

| Flags:                                                                        
|    NONPERIODIC   ntb=0 and igb=0: Setting up nonperiodic simulation
|  *** cutoff > system size, list only builds once
|Largest sphere to fit in unit cell has radius =    30.889
| New format PARM file being parsed.
| Version =    1.000 Date = 08/07/13 Time = 21:46:09
 NATOM  =       9 NTYPES =       3 NBONH =       6 MBONA  =       2
 NTHETH =      12 MTHETA =       1 NPHIH =       6 MPHIA  =       0
 NHPARM =       0 NPARM  =       0 NNB   =      28 NRES   =       1
 NBONA  =       2 NTHETA =       1 NPHIA =       0 NUMBND =       2
 NUMANG =       3 NPTRA  =       1 NATYP =       3 NPHB   =       0
 IFBOX  =       0 NMXRS  =       9 IFCAP =       0 NEXTRA =       0
 NCOPY  =       0


|     Memory Use     Allocated
|     Real                3033
|     Hollerith             30
|     Integer            20603
|     Max Pairs             36
|     nblistReal           108
|     nblist Int        799882
|       Total             3229 kbytes

| Note: 1-4 EEL scale factors are being read from the topology file.

| Note: 1-4 VDW scale factors are being read from the topology file.
| Duplicated    0 dihedrals
| Duplicated    0 dihedrals

--------------------------------------------------------------------------------
   2.  CONTROL  DATA  FOR  THE  RUN
--------------------------------------------------------------------------------

DME                                                                             

General flags:
     imin    =       1, nmropt  =       0

Nature and format of input:
     ntx     =       1, irest   =       0, ntrx    =       1

Nature and format of output:
     ntxo    =       1, ntpr    =       1, ntrx    =       1, ntwr    =     500
     iwrap   =       0, ntwx    =       0, ntwv    =       0, ntwe    =       0
     ioutfm  =       0, ntwprt  =       0, idecomp =       0, rbornstat=      0

Potential function:
     ntf     =       1, ntb     =       0, igb     =       0, nsnb    =      25
     ipol    =       0, gbsa    =       0, iesp    =       0
     dielc   =   1.00000, cut     = 100.00000, intdiel =   1.00000

Frozen or restrained atoms:
     ibelly  =       0, ntr     =       0

Energy minimization:
     maxcyc  =      10, ncyc    =      10, ntmin   =       2
     dx0     =   0.01000, drms    =   0.00010

--------------------------------------------------------------------------------
   SEBOMD  DATA  FOR  THE  RUN
--------------------------------------------------------------------------------

     hamiltonian =      MNDO, modif =       none,  longrange   =         0,  method      =         0
     charge      =         0,  iprec       =         4,  fullscf     =         1
     ipolyn      =         0,  pdump       =         0,  guess       =         0
     solute      =         0,  nsol        =         0
     onescf      =         0,  nooverlap   =         0
     ntwc        =         0,  screen      =         2,  ntwh        =         0
     peptcorr    =         0, peptk =    0.0000

|  INFO: Old style inpcrd file read


--------------------------------------------------------------------------------
   3.  ATOMIC COORDINATES AND VELOCITIES
--------------------------------------------------------------------------------

DME                                                                             
 begin time read from input coords =     0.000 ps

 Number of triangulated 3-point waters found:        0

     Sum of charges from parm topology file =   0.00000000
     Forcing neutrality...

--------------------------------------------------------------------------------
   4.  RESULTS
--------------------------------------------------------------------------------

 ---------------------------------------------------

     eedmeth=4: Setting switch to one everywhere

 ---------------------------------------------------
| Local SIZE OF NONBOND LIST =          9
| TOTAL SIZE OF NONBOND LIST =          9
