
 OPTIM version 22983, Copyright (C) David J. Wales
 OPTIM comes with ABSOLUTELY NO WARRANTY; for details supply WARRANTY as an input keyword.
 This is free software, and you are welcome to redistribute it
 under certain conditions; provide keyword COPYRIGHT to see the details.

 getparams> input coordinates for AMBER9 system will be read from 
start
start               

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

| Run on 05/24/2012 at 21:44:47
  [-O]verwriting output

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


 Here is the input file:

Minimization                                                                   
&cntrl                                                                         
   imin=1, maxcyc=1, ncyc=1,                                                   
   igb=2, saltcon=0.2,                                                         
   ntpr=1, ntx=1, ntb=0,                                                       
   cut = 999.0                                                                 
 /                                                                             
	                                                                              

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

| Flags:                                                                        
| New format PARM file being parsed.
| Version =    1.000 Date = 02/24/09 Time = 08:52:47
 NATOM  =     218 NTYPES =      12 NBONH =     102 MBONA  =     123
 NTHETH =     230 MTHETA =     169 NPHIH =     463 MPHIA  =     323
 NHPARM =       0 NPARM  =       0 NNB   =    1202 NRES   =      12
 NBONA  =     123 NTHETA =     169 NPHIA =     323 NUMBND =      27
 NUMANG =      57 NPTRA  =      40 NATYP =      21 NPHB   =       0
 IFBOX  =       0 NMXRS  =      24 IFCAP =       0 NEXTRA =       0
 NCOPY  =       0

 Implicit solvent radii are modified Bondi radii (mbondi)                                                   

|     Memory Use     Allocated
|     Real               14260
|     Hollerith           1322
|     Integer            31189
|     Max Pairs              1
|     nblistReal             0
|     nblist Int             0
|       Total              238 kbytes
| Duplicated    0 dihedrals
| Duplicated    0 dihedrals

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

                                                                                

General flags:
     imin    =       1, nmropt  =       0
     ifswitch=       0, fswitchbeta=  10.000
 mdread> no continuous cutoff will be used for non-bonded terms

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

Nature and format of output:
     ntxo    =       1, ntpr    =       1, 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     =       2, nsnb    =      25
     ipol    =       0, gbsa    =       0, iesp    =       0
     dielc   =   1.00000, cut     = 999.00000, intdiel =   1.00000
     saltcon =   0.20000, offset  =   0.09000, gbalpha=    0.80000
     gbbeta  =   0.00000, gbgamma =   2.90912, surften =   0.00500
     rdt     =   0.00000, rgbmax  =  25.00000
     alpb  =        0
     scnb    =   2.00000, scee    =   1.20000

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

Energy minimization:
     maxcyc  =       1, ncyc    =       1, 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
 getparams> Number of atoms (or variables)  determined as    218
 keyword> Local permutational alignment: alignment threshold=        1.00000
 keyword> Local permutational alignment: alignment cutoff=           5.00000
 keyword> Number of groups of permutable atoms=    25
read argument: coords.prmtop 
Reading parm file (coords.prmtop)
title:
                                                                                
 fetchz> Hybrid EF/BFGS transition state search, maximum steps= 250
         maximum tangent space steps=   5 or  100 when overlap is better than     0.999900
 fetchz> Uphill mode is    0 for initial step and    0 after that
 fetchz> Steps for largest Hessian e/vector= 100, smallest e/vector=2000 convergence at       0.0020%

 fetchz>  654 Cartesian coordinates will be optimised for  218 AMBER atoms

 fetchz> Lowest   1 eigenvalues and eigenvectors will be calculated non-iteratively
 fetchz> Point group checked when RMS force <     0.00100000, highest symmetry axis tested for=  6
 fetchz> Initial distance and eigenvalue tolerances in symmetry determination=     0.00010000     0.00010000
 fetchz> Minimum number of optimization steps=     0
 keywords> Cutoff for identifying atoms in the same orbit=    0.2000000000    
 keywords> lpermdist neighbours, threshold, max sep=    10     1.000000000         3
 fetchz> Convergence criterion for LBFGS optimization: RMS force< 0.10000000E-05 maximum steps= 10000
 fetchz> Maximum energy rise in LBFGS minimization=    0.1000000000E-01
 fetchz> Number of updates in LBFGS=    10000
 fetchz> Number of updates in XLBFGS=   4
 fetchz> Number of updates in mind=   4
 fetchz> Initial guess for diagonal elements in LBFGS=     0.0100
 fetchz> Initial guess for diagonal elements in XLBFGS=    0.1000
 fetchz> Maximum step size in LBFGS energy minimization=     0.1000
 fetchz> Maximum step size in XLBFGS=    0.2000
 fetchz> Maximum step size in LBFGS neb image minimization=                 0.2000
 fetchz> Warnings will be issued if atoms become closer than 0.5 units
 fetchz> Coordinates for intermediate steps will not be dumped to file points


 KeyInt>> Using natural internal coordinates. # of coords =        648
 KeyInt>> Parameter file for internal coordinates is naturals-noH.par                                                                                    
 KeyInt>> KD, NNZ are         74      7440
 KeyInt>> Back transform convergence (for interpolation)     0.1000000000E-07
 KeyInt>> Back transform convergence criterion (except for interpolation)     0.1000000000E-03
 KeyInt>> Using internal coordinates for interpolation.
 KeyInt>> using simple internal interpolation.    Image points will not be evenly distributed in Cartesians
 KeyInt>> Permuting endpoint atoms to minimise torsion distance
 OPTIM> Using translational/rotational ev shift=     1000000.000    
 OPTIM> Initial energy=    -454.2119502     RMS force=    0.9645968842E-06
 OPTIM> Final energy  =    -451.6527267     RMS force=    0.9232555382E-06
 KeyConnect> Maximum cycles = 50, maximum images = 23
 KeyConnect> Maximum attempts per pair of minima = 3, with increment image density of 2.00
 KeyConnect> Image density = 0.30, iteration density = 35.00
 KeyNEB> Initial and final NEB force constants     10.00000000        10.00000000     factor=    1.010000000    
 KeyNEB> Number of images will vary depending on the separation of the endpoints
 KeyGrad> Overall rotation and translation will NOT be removed
 KeyGrad> Using doubly nudged elastic band gradient
 KeyOutput> Transition state candidates will be optimized
 KeyOutput> Concise printing during transition states optimization
 KeyOutput> Transition state candidates are maxima along NEB
 KeyMin> Maximal number of iterations will vary, depending on the number of images in the band
 KeyMin> RMS convergence criterion is set to 0.001
 KeyMin> L-BFGS minimization
 KeyLBFGS> Maximum step size per image =     0.2000000000    
 KeyLBFGS> 4 Hessian updates per iteration
 KeyLBFGS> Guess for inverse Hessian diagonal elements =     0.1000000000E-02
 KeyTau> Using Henkelman and Jonsson's improved tangent
 KeyDecide> Cost function in Dijkstra algorithm is D^3

 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 1 >>>>>>>>>>>>>>>>>>>>> 2 minima and 0 ts are known >>>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      1 steps with      1 missing connections, weight=    0.16576E+07
 decide> The unconnected minima in the chain and their distances are:
     2      118.35     1 
 

 tryconnect> 805-iteration DNEB run for minima 1_S and 2_F using 23 images  (DNEB attempt #1)  ...
 Finished simple initial interpolation
 lbfgs> Final DNEB force constant     0.2335737168    
 Double-ended search iterations= 805 RMS= 0.1058 Dev= 1.99% S= 132.47 time= 138.88
 Following    1 images are candidates for TS:   10  
 Converged to TS (number of iterations):        146
 DNEB run yielded 1 true transition state(s) time=  81.25

 >>>>>  Path run for ts 1 ...
 Plus  side of path:                    1378 steps. Energy=    -451.0090916       time=      14.90
 Minus side of path:                    1528 steps. Energy=    -452.1292526       time=      17.47

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -451.0090916 0.51622         -450.4928755  1.6364         -452.1292526  57.647  55.585   2.382  91.519
        *NEW* (Placed in 3)                                     *NEW* (Placed in 4)
 Connection established between members of the U set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 2 >>>>>>>>>>>>>>>>>>>>> 4 minima and 1 ts are known >>>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      3 steps with      2 missing connections, weight=    0.58249E+06
 decide> The unconnected minima in the chain and their distances are:
     2       40.27     3     4       80.27     1 
 

 tryconnect> 420-iteration DNEB run for minima 2_F and 3_U using 12 images  (DNEB attempt #1)  ...
 Finished simple initial interpolation
 lbfgs> Final DNEB force constant     0.1659964797    
 Double-ended search iterations= 420 RMS= 0.0154 Dev= 0.79% S= 41.34 time= 37.94
 Following    1 images are candidates for TS:    6  
 Converged to TS (number of iterations):         54
 DNEB run yielded 1 true transition state(s) time=  35.49

 >>>>>  Path run for ts 2 ...
 Plus  side of path:                    1288 steps. Energy=    -451.3652734       time=      13.73
 Minus side of path:                    1344 steps. Energy=    -451.0090916       time=      14.78

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -451.3652734 0.64165         -450.7236236 0.28547         -451.0090916  31.891  30.113   3.980  54.780
        *NEW* (Placed in 5)                                     Known (#3)
 Connection established between members of the U set.

 tryconnect> 805-iteration DNEB run for minima 1_S and 4_U using 23 images  (DNEB attempt #1)  ...
 Finished simple initial interpolation
 lbfgs> Final DNEB force constant     0.1921616749    
 Double-ended search iterations= 805 RMS= 0.0639 Dev= 4.39% S= 89.40 time= 138.50
 Following    2 images are candidates for TS:    7   16  
 Failed to converge to TS (number of iterations):        251
 Converged to TS (number of iterations):         36
 DNEB run yielded 1 true transition state(s) time= 156.83

 >>>>>  Path run for ts 3 ...
 Plus  side of path:                    1314 steps. Energy=    -452.3877086       time=      14.00
 Minus side of path:                    1313 steps. Energy=    -452.1292526       time=      14.08

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -452.3877086 0.73945         -451.6482608 0.48099         -452.1292526  23.932  22.965   1.707 127.677
        *NEW* (Placed in 6)                                     Known (#4)
 Connection established between members of the U set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 3 >>>>>>>>>>>>>>>>>>>>> 6 minima and 3 ts are known >>>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      5 steps with      2 missing connections, weight=    0.23679E+06
 decide> The unconnected minima in the chain and their distances are:
     2       24.39     5     6       60.58     1 
 

 tryconnect> 245-iteration DNEB run for minima 2_F and 5_U using 7 images  (DNEB attempt #1)  ...
 Finished simple initial interpolation
 lbfgs> Final DNEB force constant     0.9156391332    
 Double-ended search iterations= 245 RMS= 0.0459 Dev= 0.23% S= 24.56 time= 12.99
 Following    1 images are candidates for TS:    3  
 Converged to TS (number of iterations):         31
 DNEB run yielded 1 true transition state(s) time=  26.38

 >>>>>  Path run for ts 4 ...
 Plus  side of path:                    1277 steps. Energy=    -451.6527267       time=      13.63
 Minus side of path:                    1293 steps. Energy=    -451.3652734       time=      13.91

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -451.6527267 0.59499         -451.0577336 0.30754         -451.3652734  24.931  24.387   1.673 130.267
        Known (#2)                                              Known (#5)
 Unconnected minimum 5 found its way to F set.

 tryconnect> 630-iteration DNEB run for minima 1_S and 6_F using 18 images  (DNEB attempt #1)  ...
 Finished simple initial interpolation
 lbfgs> Final DNEB force constant     0.3623494974    
 Double-ended search iterations= 630 RMS= 0.0493 Dev= 3.62% S= 66.52 time= 84.57
 Following    1 images are candidates for TS:    6  
 Failed to converge to TS (number of iterations):        251
 DNEB run yielded 0 true transition state(s) time= 130.38
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 4 >>>>>>>>>>>>>>>>>>>>> 6 minima and 4 ts are known >>>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      5 steps with      1 missing connections, weight=    0.44457E+06
 decide> The unconnected minima in the chain and their distances are:
     6       60.58     1 
 

 tryconnect> 805-iteration DNEB run for minima 1_S and 6_F using 23 images  (DNEB attempt #2)  ...
 Finished simple initial interpolation
 lbfgs> Final DNEB force constant     0.3130111196    
 Double-ended search iterations= 805 RMS= 0.0208 Dev= 4.98% S= 68.18 time= 138.13
 Following    1 images are candidates for TS:    8  
 Failed to converge to TS (number of iterations):        251
 DNEB run yielded 0 true transition state(s) time= 135.75
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 5 >>>>>>>>>>>>>>>>>>>>> 6 minima and 4 ts are known >>>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      3 steps with      1 missing connections, weight=    0.91352E+06
 decide> The unconnected minima in the chain and their distances are:
     3       97.03     1 
 

 tryconnect> 805-iteration DNEB run for minima 1_S and 3_F using 23 images  (DNEB attempt #1)  ...
 Finished simple initial interpolation
 lbfgs> Final DNEB force constant     0.2118582465    
 Double-ended search iterations= 805 RMS= 0.1252 Dev= 3.59% S= 108.83 time= 138.74
 Following    2 images are candidates for TS:   10   15  
 Failed to converge to TS (number of iterations):        251
 Converged to TS (number of iterations):         86
 DNEB run yielded 1 true transition state(s) time= 176.94
 isnewts> transition state is the same as number        3 energy=     -451.6482607995
 tryconnect> Try the path again for ts      1 with pushoff=    0.1000000000E-01

 >>>>>  Path run for ts 5 ...
 tryconnect> Trying this transition state path again with pushoff=    0.1000000000E-01
 Plus  side of path:                    1316 steps. Energy=    -452.1292526       time=      14.18
 Minus side of path:                    1298 steps. Energy=    -452.3877086       time=      14.08

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -452.1292526 0.48099         -451.6482608 0.73945         -452.3877086  23.932  22.965   1.707 127.678
        Known (#4)                                              Known (#6)
 Alternative path found between members of the F set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 6 >>>>>>>>>>>>>>>>>>>>> 6 minima and 5 ts are known >>>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      2 steps with      1 missing connections, weight=    0.11265E+07
 decide> The unconnected minima in the chain and their distances are:
     5      104.05     1 
 

 tryconnect> 805-iteration DNEB run for minima 1_S and 5_F using 23 images  (DNEB attempt #1)  ...
 Finished simple initial interpolation
 lbfgs> Final DNEB force constant     0.1921616749    
 Double-ended search iterations= 805 RMS= 0.1466 Dev= 3.09% S= 117.55 time= 138.73
 Following    2 images are candidates for TS:   11   15  
 Converged to TS (number of iterations):        109
 Converged to TS (number of iterations):        105
 DNEB run yielded 2 true transition state(s) time= 131.26
 isnewts> transition state is the same as number        6 energy=     -452.0144343672
 tryconnect> Try the path again for ts      2 with pushoff=    0.1000000000E-01

 >>>>>  Path run for ts 6 ...
 Plus  side of path:                    1300 steps. Energy=    -452.4917095       time=      13.64
 Minus side of path:                    1311 steps. Energy=    -452.7773791       time=      13.79

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -452.4917095 0.47728         -452.0144344 0.76294         -452.7773791  20.831  19.726   1.575 138.416
        *NEW* (Placed in 7)                                     *NEW* (Placed in 8)
 Connection established between members of the U set.

 >>>>>  Path run for ts 7 ...
 tryconnect> Trying this transition state path again with pushoff=    0.1000000000E-01
 Plus  side of path:                    1300 steps. Energy=    -452.4917095       time=      13.63
 Minus side of path:                    1297 steps. Energy=    -452.7773791       time=      13.56

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -452.4917095 0.47728         -452.0144344 0.76294         -452.7773791  20.831  19.726   1.575 138.420
        Known (#7)                                              Known (#8)
 Connection established between members of the U set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 7 >>>>>>>>>>>>>>>>>>>>> 8 minima and 7 ts are known >>>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      6 steps with      2 missing connections, weight=    0.38119E+06
 decide> The unconnected minima in the chain and their distances are:
     6       29.10     8     8       70.91     1 
 

 tryconnect> 280-iteration DNEB run for minima 6_F and 8_U using 8 images  (DNEB attempt #1)  ...
 Finished simple initial interpolation
 lbfgs> Final DNEB force constant     0.6507276371    
 Double-ended search iterations= 280 RMS= 0.0230 Dev= 0.52% S= 29.76 time= 16.96
 Following    1 images are candidates for TS:    4  
 Converged to TS (number of iterations):         23
 DNEB run yielded 1 true transition state(s) time=  22.74

 >>>>>  Path run for ts 8 ...
 Plus  side of path:                    1294 steps. Energy=    -452.3877086       time=      13.45
 Minus side of path:                    1300 steps. Energy=    -452.7773791       time=      13.56

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -452.3877086 0.24996         -452.1377520 0.63963         -452.7773791  30.207  29.123   4.332  50.320
        Known (#6)                                              Known (#8)
 Unconnected minimum 8 found its way to F set.

 tryconnect> 735-iteration DNEB run for minima 1_S and 8_F using 21 images  (DNEB attempt #1)  ...
 Finished simple initial interpolation
 lbfgs> Final DNEB force constant     0.3804669723    
 Double-ended search iterations= 735 RMS= 0.0366 Dev= 5.11% S= 78.12 time= 114.90
 Following    1 images are candidates for TS:    8  
 Failed to converge to TS (number of iterations):        251
 DNEB run yielded 0 true transition state(s) time= 124.26
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 8 >>>>>>>>>>>>>>>>>>>>> 8 minima and 8 ts are known >>>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      7 steps with      1 missing connections, weight=    0.64952E+06
 decide> The unconnected minima in the chain and their distances are:
     7       86.60     1 
 

 tryconnect> 805-iteration DNEB run for minima 1_S and 7_F using 23 images  (DNEB attempt #1)  ...
 Finished simple initial interpolation
 lbfgs> Final DNEB force constant     0.2839103126    
 Double-ended search iterations= 805 RMS= 0.0302 Dev= 5.01% S= 96.20 time= 138.25
 Following    2 images are candidates for TS:    8   16  
 Converged to TS (number of iterations):        246
 Converged to TS (number of iterations):         55
 DNEB run yielded 2 true transition state(s) time= 158.98
 isnewts> transition state is the same as number        6 energy=     -452.0144343672
 tryconnect> Will not repeat search for TS      2 same as TS      6

 >>>>>  Path run for ts 9 ...
 Plus  side of path:                    1287 steps. Energy=    -449.2641409       time=      13.26
 Minus side of path:                    2448 steps. Energy=    -458.0105969       time=      35.01

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -449.2641409 0.14447E-01     -449.2496936  8.7609         -458.0105969  71.790  66.062   1.547 140.895
        *NEW* (Placed in 9)                                     *NEW* (Placed in 10)
 Connection established between members of the U set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 9 >>>>>>>>>>>>>>>>>>>>> 10 minima and 9 ts are known >>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      4 steps with      2 missing connections, weight=    0.19147E+06
 decide> The unconnected minima in the chain and their distances are:
     5       37.80     9    10       51.61     1 
 

 tryconnect> 385-iteration DNEB run for minima 5_F and 9_U using 11 images  (DNEB attempt #1)  ...
 Finished simple initial interpolation
 lbfgs> Final DNEB force constant      99.05971092    
 Double-ended search iterations= 385 RMS= 1.6772 Dev= 0.84% S= 38.55 time= 31.86
 Following    1 images are candidates for TS:    5  
 Converged to TS (number of iterations):         57
 DNEB run yielded 1 true transition state(s) time=  40.96

 >>>>>  Path run for ts 10 ...
 Plus  side of path:                    1771 steps. Energy=    -451.6527267       time=      21.22
 Minus side of path:                    4013 steps. Energy=    -458.5910073       time=      79.68

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -451.6527267  8.7729         -442.8797866  15.711         -458.5910073 142.799 118.037   1.637 133.140
        Known (#2)                                              *NEW* (Placed in 11)
 Unconnected minimum 11 found its way to F set.

 tryconnect> 525-iteration DNEB run for minima 1_S and 10_U using 15 images  (DNEB attempt #1)  ...
 Finished simple initial interpolation
 lbfgs> Final DNEB force constant      14.07100423    
 Double-ended search iterations= 5251 RMS= 0.0828 Dev= 5.47% S= 97.91 time= 583.39
 Following    1 images are candidates for TS:    7  
 Failed to converge to TS (number of iterations):        251
 DNEB run yielded 0 true transition state(s) time= 143.15
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 10 >>>>>>>>>>>>>>>>>>>>> 11 minima and 10 ts are known >>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      2 steps with      1 missing connections, weight=     51526.    
 decide> The unconnected minima in the chain and their distances are:
    11       37.21     1 
 

 tryconnect> 385-iteration DNEB run for minima 1_S and 11_F using 11 images  (DNEB attempt #1)  ...
 Finished simple initial interpolation
 lbfgs> Final DNEB force constant      1.644356330    
 Double-ended search iterations= 385 RMS= 0.0400 Dev= 0.52% S= 38.07 time= 30.99
 Following    1 images are candidates for TS:    5  
 Converged to TS (number of iterations):         67
 DNEB run yielded 1 true transition state(s) time=  40.72

 >>>>>  Path run for ts 11 ...
 Plus  side of path:                    1661 steps. Energy=    -458.5910073       time=      19.19
 Minus side of path:                    1283 steps. Energy=    -454.2119502       time=      13.15

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -458.5910073  4.6747         -453.9162795 0.29567         -454.2119502  39.257  37.227   2.233  97.618
        Known (#11)                                             Known (#1)
 Connected path found
  ts        E+         Ets - E+          Ets       Ets - E-          E-          S       D      gamma   ~N
  11     -454.2119502 0.29567        -453.9162795  4.6747        -458.5910073  39.257  37.227   2.233  97.618
  10     -458.5910073  15.711        -442.8797866  8.7729        -451.6527267 142.799 118.037   1.637 133.140

 Number of TS in the path       =      2
 Number of cycles               =     10

 Elapsed time=                              3558.80
 OPTIM> # of energy calls=                          0 time=           0.00 %=  0.0
 OPTIM> # of energy+gradient calls=            299782 time=        2210.83 %= 62.1
 OPTIM> # of energy+gradient+Hessian calls=      2515 time=         695.29 %= 19.5
