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          Amber 16 SANDER                              2016
          -------------------------------------------------------

| Run on 09/05/2018 at 13:12:54

|   Executable path: /root/amber16/bin/sander.MPI
| Working directory: /home/maryam.azimzadeh.sharif/IL-1_IL-1RI/re_run_first
|          Hostname: compute-0-65.local

  [-O]verwriting output

File Assignments:
|  MDIN: min1.in
| MDOUT: min1.out
|INPCRD: complex.crd
|  PARM: complex.top
|RESTRT: min1.rst
|  REFC: complex.top
| MDVEL: mdvel
| MDFRC: mdfrc
|  MDEN: mden
| MDCRD: mdcrd
|MDINFO: mdinfo
|  MTMD: mtmd
|INPDIP: inpdip
|RSTDIP: rstdip
|INPTRA: inptraj

|    REMLOG: rem.log
|   REMTYPE: rem.type
|  REMSTRIP:
|   SAVEENE: saveene
|CLUSTERINF: cluster.info
| RESERVOIR: reserv/frame
|   REMDDIM:


 Here is the input file:

EGFR monomer : initial minimization, solute frozen
 &cntrl
  imin   = 1,
  maxcyc = 1000,
  ncyc   = 500,
  ntb    = 1,
  ntr    = 1,
  cut    = 10
 /
Hold the solute fixed
500.0
RES 1 461
END
END

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

| Flags: MPI
 getting new box info from bottom of inpcrd
|  INFO: Old style inpcrd file read

| peek_ewald_inpcrd: Box info found
|Largest sphere to fit in unit cell has radius =    34.397
| New format PARM file being parsed.
| Version =    1.000 Date = 08/21/18 Time = 13:43:16
 NATOM  =   60131 NTYPES =      17 NBONH =   56412 MBONA  =    3801
 NTHETH =    8392 MTHETA =    5149 NPHIH =   16883 MPHIA  =   16377
 NHPARM =       0 NPARM  =       0 NNB   =  111281 NRES   =   18046
 NBONA  =    3801 NTHETA =    5149 NPHIA =   16377 NUMBND =      67
 NUMANG =     153 NPTRA  =     197 NATYP =      36 NPHB   =       1
 IFBOX  =       1 NMXRS  =      24 IFCAP =       0 NEXTRA =       0
 NCOPY  =       0


|     Memory Use     Allocated
|     Real             5199250
|     Hollerith         198441
|     Integer          2984140
|     Max Pairs       34635456
|     nblistReal        721572
|     nblist Int       2538877
|       Total           203900 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

     BOX TYPE: RECTILINEAR


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

default_name

General flags:
     imin    =       1, nmropt  =       0

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

Nature and format of output:
     ntxo    =       2, ntpr    =      50, ntrx    =       1, ntwr    =       1
     iwrap   =       0, ntwx    =       0, ntwv    =       0, ntwe    =       0
     ioutfm  =       1, ntwprt  =       0, idecomp =       0, rbornstat=      0

Potential function:
     ntf     =       1, ntb     =       1, igb     =       0, nsnb    =      25
     ipol    =       0, gbsa    =       0, iesp    =       0
     dielc   =   1.00000, cut     =  10.00000, intdiel =   1.00000

Frozen or restrained atoms:
     ibelly  =       0, ntr     =       1
     restraint_wt =   0.00000

Energy minimization:
     maxcyc  =    1000, ncyc    =     500, ntmin   =       1
     dx0     =   0.01000, drms    =   0.00010

Ewald parameters:
     verbose =       0, ew_type =       0, nbflag  =       1, use_pme =       1
     vdwmeth =       1, eedmeth =       1, netfrc  =       0
     Box X =  102.968   Box Y =  103.980   Box Z =   68.794
     Alpha =   90.000   Beta  =   90.000   Gamma =   90.000
     NFFT1 =  108       NFFT2 =  108       NFFT3 =   72
     Cutoff=   10.000   Tol   =0.100E-04
     Ewald Coefficient =  0.27511
     Interpolation order =    4

| MPI Timing options:
|      profile_mpi =        0

    LOADING THE CONSTRAINED ATOMS AS GROUPS


   5.  REFERENCE ATOM COORDINATES