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

| Run on 06/22/2005 at 09:53:35
  [-O]verwriting output

File Assignments:
|  MDIN: pbsa.in                                                               
| MDOUT: pbsa_lig.1.out                                                        
|INPCRD: ./snapshot25/ligC_lig.crd.1                                           
|  PARM: ./lig_vac.prmtop                                                      
|RESTRT: restrt                                                                
|  REFC: refc                                                                  
| MDVEL: mdvel                                                                 
|  MDEN: mden                                                                  
| MDCRD: mdcrd                                                                 
|MDINFO: mdinfo                                                                
|INPDIP: inpdip                                                                
|RSTDIP: rstdip                                                                

 
 Here is the input file:
 
File generated by mm_pbsa.pl. Using PB                                         
 &cntrl                                                                        
  ntf    = 1,       ntb    = 0,                                                
  igb    = 10,      dielc  = 1.0,                                              
  cut    = 999.0,   nsnb   = 99999,                                            
  scnb   = 2.0,     scee   = 1.2,                                              
  imin   = 1,       maxcyc = 0,       ntmin  = 2,                              
 &end                                                                          
 &pb                                                                           
  epsin  = 1.0,     epsout  = 80.0,                                            
  istrng = 0,       radiopt = 1,                                               
  sprob  = 1.6,     space   = 0.75,                                            
  maxitn = 1000                                                                
  cutres = 12,  npbverb= 1                                                     
 &end                                                                          

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

| Flags: SGIFFT                                                                 
| New format PARM file being parsed.
| Version =    1.000 Date = 06/21/05 Time = 16:34:29
 NATOM  =      19 NTYPES =       8 NBONH =       4 MBONA  =      15
 NTHETH =       7 MTHETA =      22 NPHIH =      13 MPHIA  =      22
 NHPARM =       0 NPARM  =       0 NNB   =      81 NRES   =       1
 NBONA  =      15 NTHETA =      22 NPHIA =      22 NUMBND =       9
 NUMANG =      11 NPTRA  =       4 NATYP =       8 NPHB   =       0
 IFBOX  =       0 NMXRS  =      19 IFCAP =       0 NEXTRA =       0
 NCOPY  =       0


|     Memory Use     Allocated
|     Real                 744
|     Hollerith            117
|     Integer            20770
|     Max Pairs              1
|     Max Rstack             1
|     Max Istack             1
|       Total               87 kbytes
| 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     =      10, nsnb    =   99999
     ipol    =       0, gbsa    =       0, iesp    =       0
     dielc   =   1.00000, cut     = 999.00000, intdiel =   1.00000
     surften =   0.00500
     scnb    =   2.00000, scee    =   1.20000

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

Energy minimization:
     maxcyc  =       0, ncyc    =      10, ntmin   =       2
     dx0     =   0.01000, drms    =   0.00010
 
 ======== PB Initialization ========
 
     Max PBMD Nonbonded Pairs:      181      181
 
 PB bomb in pb_aaradi(): ZERO sigma found for non-hydrogen atom