
          -------------------------------------------------------
          Amber 11 SANDER                              2010
          -------------------------------------------------------

| Run on 01/20/2016 at 14:15:37
  [-O]verwriting output

File Assignments:
|  MDIN: min1.in                                                               
| MDOUT: min.out                                                               
|INPCRD: ao_lzu.inpcrd                                                         
|  PARM: ao_lzu.prmtop                                                         
|RESTRT: min.crd                                                               
|  REFC: refc                                                                  
| MDVEL: mdvel                                                                 
|  MDEN: mden                                                                  
| MDCRD: mdcrd                                                                 
|MDINFO: mdinfo                                                                
|  MTMD: mtmd                                                                  
|INPDIP: inpdip                                                                
|RSTDIP: rstdip                                                                

|INPTRA: inptraj                                                               
|
 
 Here is the input file:
 
 Initial minimisation of AO-que complex                                        
 &cntrl                                                                        
  imin=1, maxcyc=200, ncyc=50,                                                 
  cut=12, ntb=0,                                                               
  igb=1,                                                                       
 &end                                                                          

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

| Flags:                                                                        
| New format PARM file being parsed.
| Version =    1.000 Date = 01/20/16 Time = 14:15:12
 NATOM  =   20738 NTYPES =      14 NBONH =   10390 MBONA  =   10571
 NTHETH =   23701 MTHETA =   14300 NPHIH =   46133 MPHIA  =   28149
 NHPARM =       0 NPARM  =       0 NNB   =  114731 NRES   =    1334
 NBONA  =   10571 NTHETA =   14300 NPHIA =   28149 NUMBND =      51
 NUMANG =     108 NPTRA  =      43 NATYP =      36 NPHB   =       0
 IFBOX  =       0 NMXRS  =      51 IFCAP =       0 NEXTRA =       0
 NCOPY  =       0

 Implicit solvent radii are modified Bondi radii (mbondi)                                                   

|     Memory Use     Allocated
|     Real             1390456
|     Hollerith          63550
|     Integer          1067191
|     Max Pairs              1
|     nblistReal             0
|     nblist Int             0
|       Total            15279 kbytes

| Note: 1-4 EEL scale factors were NOT found in the topology file.
|       Using default value of 1.2.

| Note: 1-4 VDW scale factors were NOT found in the topology file.
|       Using default value of 2.0.
| Duplicated    0 dihedrals
| Duplicated    0 dihedrals

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

                                                                                

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     =       1, nsnb    =      25
     ipol    =       0, gbsa    =       0, iesp    =       0
     dielc   =   1.00000, cut     =  12.00000, intdiel =   1.00000
     saltcon =   0.00000, offset  =   0.09000, gbalpha=    1.00000
     gbbeta  =   0.00000, gbgamma =   0.00000, surften =   0.00500
     rdt     =   0.00000, rgbmax  =  25.00000  extdiel =  78.50000
     alpb  =        0

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

Energy minimization:
     maxcyc  =     200, ncyc    =      50, ntmin   =       1
     dx0     =   0.01000, drms    =   0.00010
|  INFO: Old style inpcrd file read


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

                                                                                
 begin time read from input coords =     0.000 ps

 Number of triangulated 3-point waters found:        0

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



   NSTEP       ENERGY          RMS            GMAX         NAME    NUMBER
      1     NaN            NaN              2.8149E+05     C16     20703

 BOND    =     1945.2401  ANGLE   =     2800.2127  DIHED      =    11506.4253
 VDWAALS =           NaN  EEL     =      Infinity  EGB        =   -16244.7286
 1-4 VDW =     6132.5535  1-4 EEL =    60057.7113  RESTRAINT  =        0.0000


   NSTEP       ENERGY          RMS            GMAX         NAME    NUMBER
     50     NaN            NaN              0.0000E+00     N           1

 BOND    =           NaN  ANGLE   =           NaN  DIHED      =           NaN
 VDWAALS =        0.0000  EEL     =        0.0000  EGB        =  -265619.6596
 1-4 VDW =           NaN  1-4 EEL =           NaN  RESTRAINT  =        0.0000

     ... RESTARTED DUE TO LINMIN FAILURE ...

     ... RESTARTED DUE TO LINMIN FAILURE ...

     ... RESTARTED DUE TO LINMIN FAILURE ...

     ... RESTARTED DUE TO LINMIN FAILURE ...

     ... RESTARTED DUE TO LINMIN FAILURE ...

     ***** REPEATED LINMIN FAILURE *****

     ***** SEE http://ambermd.org/Questions/linmin.html FOR MORE INFO *****


                    FINAL RESULTS



   NSTEP       ENERGY          RMS            GMAX         NAME    NUMBER
     71     NaN            NaN              0.0000E+00     N           1

 BOND    =           NaN  ANGLE   =           NaN  DIHED      =           NaN
 VDWAALS =        0.0000  EEL     =        0.0000  EGB        =  -265619.6596
 1-4 VDW =           NaN  1-4 EEL =           NaN  RESTRAINT  =        0.0000

--------------------------------------------------------------------------------
   5.  TIMINGS
--------------------------------------------------------------------------------

|    Read coords time           0.04 ( 0.01% of Total)
|                Calc gb radii            110.84 (23.59% of Gen B)
|                Calc gb diag             229.08 (48.75% of Gen B)
|                Calc gb off-diag         129.97 (27.66% of Gen B)
|             Gen Born time            469.90 (100.0% of Nonbo)
|          Nonbond force            469.90 (99.43% of Force)
|          Bond/Angle/Dihedral        2.68 ( 0.57% of Force)
|       Force time               472.59 (100.0% of Runmd)
|    Runmd Time               472.59 (99.84% of Total)
|    Other                      0.72 ( 0.15% of Total)
| Total time               473.35 (100.0% of ALL  )

| Highest rstack allocated:          0
| Highest istack allocated:          0
|           Job began  at 14:15:37.122  on 01/20/2016
|           Setup done at 14:15:37.683  on 01/20/2016
|           Run   done at 14:23:30.474  on 01/20/2016
|     wallclock() was called    1305 times
