-------------------------------------------------------
          Amber 9  SANDER                              2006
          -------------------------------------------------------

| Run on 11/15/2007 at 14:40:59
  [-O]verwriting output

File Assignments:
|  MDIN: bnb3.in                                                               
| MDOUT: bnb3.out                                                              
|INPCRD: bnb3.inpcrd                                                           
|  PARM: bnb3.prmtop                                                           
|RESTRT: bnb3.rst                                                              
|  REFC: refc                                                                  
| MDVEL: mdvel                                                                 
|  MDEN: mden                                                                  
| MDCRD: mdcrd                                                                 
|MDINFO: mdinfo                                                                
|INPDIP: inpdip                                                                
|RSTDIP: rstdip                                                                

 
 Here is the input file:
 
bnb in water 1st try                                                           
&cntrl                                                                         
 imin = 1                                                                      
 maxcyc = 500                                                                  
 ncyc = 250                                                                    
 ntb = 0                                                                       
 igb = 0                                                                       
 cut = 12                                                                      
/                                                                              
                                                                               

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

| Flags:                                                                        
|    NONPERIODIC   ntb=0 and igb=0: Setting up nonperiodic simulation
|Largest sphere to fit in unit cell has radius =    46.848
| New format PARM file being parsed.
| Version =    1.000 Date = 11/12/07 Time = 14:46:27
 NATOM  =    2651 NTYPES =       7 NBONH =    2639 MBONA  =      11
 NTHETH =      38 MTHETA =      11 NPHIH =      65 MPHIA  =      15
 NHPARM =       0 NPARM  =       0 NNB   =    3636 NRES   =     875
 NBONA  =      11 NTHETA =      11 NPHIA =      15 NUMBND =       9
 NUMANG =      11 NPTRA  =      13 NATYP =       8 NPHB   =       1
 IFBOX  =       2 NMXRS  =      29 IFCAP =       0 NEXTRA =       0
 NCOPY  =       0


|     Memory Use     Allocated
|     Real              160785
|     Hollerith          16783
|     Integer            79153
|     Max Pairs        1526976
|     nblistReal         31812
|     nblist Int       1318062
|       Total            12992 kbytes
| Duplicated    0 dihedrals
| Duplicated    0 dihedrals

     BOX TYPE: TRUNCATED OCTAHEDRON

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

BN                                                                              

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    =      50, 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     =  12.00000, intdiel =   1.00000
     scnb    =   2.00000, scee    =   1.20000

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

Energy minimization:
     maxcyc  =     500, ncyc    =     250, ntmin   =       1
     dx0     =   0.01000, drms    =   0.00010

  Error: ifbox=2 in prmtop but angles are not correct

 *** input error(s)