-------------------------------------------------------
          Amber 8  SANDER                 Scripps/UCSF 2004
          -------------------------------------------------------

| Run on 03/02/2007 at 11:38:36
  [-O]verwriting output

File Assignments:
|  MDIN: LIP4NWMD8.in                                                          
| MDOUT: LIP4NWMD8.out                                                         
|INPCRD: LIP4NWMD7.restrt_225000                                               
|  PARM: CcONW.prmtop                                                          
|RESTRT: LIP4NWMD8.restrt                                                      
|  REFC: refc                                                                  
| MDVEL: mdvel                                                                 
|  MDEN: mden                                                                  
| MDCRD: LIP4NWMD8.mdcrd                                                       
|MDINFO: mdinfo                                                                
|INPDIP: inpdip                                                                
|RSTDIP: rstdip                                                                


 Here is the input file:

SubIII water relaxation                                                        
&cntrl                                                                         
 irest=1,                                                                      
 ntx=5,                                                                        
 ntpr=1000, ntwx=2500, ntwr=-25000,                                            
 imin=0,                                                                       
 nstlim=250000, dt=0.002, ntc=2,                                               
 ntb=0,                                                                        
 igb=1, intdiel=1, extdiel=2,                                                  
 saltcon=0.1,                                                                  
 ntt=3,                                                                        
 gamma_ln=10.0,                                                                
 cut=16,                                                                       
 tempi=250, temp0=300,                                                         
 tautp=1.0,                                                                    
 ntr=0,                                                                        
 &end                                                                          

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

| Flags: MPI                                                                    
| New format PARM file being parsed.
| Version =    1.000 Date = 02/07/07 Time = 16:05:10
 NATOM  =    4714 NTYPES =      16 NBONH =    2371 MBONA  =    2432
 NTHETH =    5414 MTHETA =    3276 NPHIH =   10061 MPHIA  =    6813
 NHPARM =       0 NPARM  =       0 NNB   =   26061 NRES   =     269
 NBONA  =    2432 NTHETA =    3276 NPHIA =    6813 NUMBND =      57
 NUMANG =     120 NPTRA  =      61 NATYP =      41 NPHB   =       0
 IFBOX  =       0 NMXRS  =     129 IFCAP =       0 NEXTRA =       0
 NCOPY  =       0


|     Memory Use     Allocated
|     Real              132390
|     Hollerith          28555
|     Integer           263116
|     Max Pairs              1
|     Max Rstack             1
|     Max Istack             1
|       Total             2173 kbytes
| Duplicated    0 dihedrals
| Duplicated    0 dihedrals

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

                                                                                

General flags:
     imin    =       0, nmropt  =       0

Nature and format of input:
     ntx     =       5, irest   =       1, ntrx    =       1

Nature and format of output:
     ntxo    =       1, ntpr    =    1000, ntrx    =       1, ntwr    =  -25000
     iwrap   =       0, ntwx    =    2500, 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     =  16.00000, intdiel =   1.00000
     saltcon =   0.10000, offset  =   0.09000, gbalpha=    1.00000
     gbbeta  =   0.00000, gbgamma =   0.00000, surften =   0.00500
     rdt     =   0.00000, rgbmax  =  25.00000
     scnb    =   2.00000, scee    =   1.20000

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

Molecular dynamics:
     nstlim  =  250000, nscm    =    1000, nrespa  =       1
     t       =   0.00000, dt      =   0.00200, vlimit  =  20.00000

Langevin dynamics temperature regulation:
     ig      =   71277
     temp0   = 300.00000, tempi   = 250.00000, gamma_ln=  10.00000

SHAKE:
     ntc     =       2, jfastw  =       0
     tol     =   0.00001

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

                                                                                
 begin time read from input coords =  2052.000 ps

 Number of triangulated 3-point waters found:        0
|  Atom division among processors:
|         0    1182    2365    3537    4714
|  Running AMBER/MPI version on    4 nodes