
 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 10:58:34
  [-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 = 12/07/08 Time = 15:32:39
 NATOM  =     107 NTYPES =      11 NBONH =      48 MBONA  =      59
 NTHETH =     105 MTHETA =      79 NPHIH =     235 MPHIA  =     150
 NHPARM =       0 NPARM  =       0 NNB   =     560 NRES   =       7
 NBONA  =      59 NTHETA =      79 NPHIA =     150 NUMBND =      18
 NUMANG =      35 NPTRA  =      25 NATYP =      14 NPHB   =       0
 IFBOX  =       0 NMXRS  =      22 IFCAP =       0 NEXTRA =       0
 NCOPY  =       0

 Implicit solvent radii are modified Bondi radii (mbondi)                                                   

|     Memory Use     Allocated
|     Real                7111
|     Hollerith            651
|     Integer            25418
|     Max Pairs              1
|     nblistReal             0
|     nblist Int             0
|       Total              157 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    107
 keyword> Local permutational alignment: alignment threshold=        1.00000
 keyword> Local permutational alignment: alignment cutoff=           5.00000
 keyword> Number of groups of permutable atoms=    17
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>  321 Cartesian coordinates will be optimised for  107 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


 OPTIM> Using translational/rotational ev shift=     1000000.000    
 OPTIM> Initial energy=    -533.8533828     RMS force=    0.8614631591E-06
 OPTIM> Final energy  =    -535.4476289     RMS force=    0.9184127422E-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=     13623.    
 decide> The unconnected minima in the chain and their distances are:
     2       23.88     1 
 

 tryconnect> 245-iteration DNEB run for minima 1_S and 2_F using 7 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      1.998725396    
 Double-ended search iterations= 245 RMS= 0.2906 Dev= 1.91% S= 29.88 time= 3.42
 Following    1 images are candidates for TS:    5  
 Converged to TS (number of iterations):        110
 DNEB run yielded 1 true transition state(s) time=  11.36

 >>>>>  Path run for ts 1 ...
 Plus  side of path:                     674 steps. Energy=    -533.0778015       time=       1.70
 Minus side of path:                     671 steps. Energy=    -532.4239324       time=       1.69

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -533.0778015 0.73849         -532.3393123 0.84620E-01     -532.4239324  14.554  12.243   2.431  44.022
        *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      1 steps with      1 missing connections, weight=     27246.    
 decide> The unconnected minima in the chain and their distances are:
     2       23.88     1 
 

 tryconnect> 805-iteration DNEB run for minima 1_S and 2_F using 23 images  (DNEB attempt #2)  ...
 lbfgs> Final DNEB force constant     0.6197406068    
 Double-ended search iterations= 805 RMS= 0.1069 Dev= 4.49% S= 44.88 time= 37.20
 Following    3 images are candidates for TS:    2   13   18  
 Converged to TS (number of iterations):         52
 Converged to TS (number of iterations):        187
 Converged to TS (number of iterations):         59
 DNEB run yielded 3 true transition state(s) time=  29.78

 >>>>>  Path run for ts 2 ...
 Plus  side of path:                     588 steps. Energy=    -533.8533828       time=       1.45
 Minus side of path:                    1023 steps. Energy=    -535.3856662       time=       2.95

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -533.8533828 0.93176         -532.9216254  2.4640         -535.3856662  21.729  18.649   2.216  48.287
        Known (#1)                                              *NEW* (Placed in 5)
 Unconnected minimum 5 found its way to S set.

 >>>>>  Path run for ts 3 ...
 Plus  side of path:                     599 steps. Energy=    -534.2822792       time=       1.49
 Minus side of path:                     820 steps. Energy=    -536.2553621       time=       2.17

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -534.2822792 0.38805         -533.8942268  2.3611         -536.2553621  18.754  17.556   2.152  49.719
        *NEW* (Placed in 6)                                     *NEW* (Placed in 7)
 Connection established between members of the U set.

 >>>>>  Path run for ts 4 ...
 Plus  side of path:                     771 steps. Energy=    -533.4246895       time=       2.00
 Minus side of path:                     809 steps. Energy=    -536.2553621       time=       2.13

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -533.4246895  2.4953         -530.9293882  5.3260         -536.2553621  27.078  23.328   2.613  40.953
        *NEW* (Placed in 8)                                     Known (#7)
 Connection established between members of the U set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 3 >>>>>>>>>>>>>>>>>>>>> 8 minima and 4 ts are known >>>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      3 steps with      2 missing connections, weight=     4070.6    
 decide> The unconnected minima in the chain and their distances are:
     2       12.99     6     7       12.33     1 
 

 tryconnect> 105-iteration DNEB run for minima 2_F and 6_U using 3 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      3.589423646    
 Double-ended search iterations= 105 RMS= 0.2122 Dev= 0.04% S= 13.43 time= 0.64
 Following    1 images are candidates for TS:    2  
 Converged to TS (number of iterations):         60
 DNEB run yielded 1 true transition state(s) time=   6.14

 >>>>>  Path run for ts 5 ...
 Plus  side of path:                     602 steps. Energy=    -535.4476289       time=       1.50
 Minus side of path:                     622 steps. Energy=    -534.2822792       time=       1.56

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -535.4476289  3.2865         -532.1611069  2.1212         -534.2822792  18.195  13.031   4.295  24.914
        Known (#2)                                              Known (#6)
 Unconnected minimum 6 found its way to F set.

 tryconnect> 105-iteration DNEB run for minima 1_S and 7_F using 3 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      8.638375985    
 Double-ended search iterations= 105 RMS= 1.8281 Dev= 1.42% S= 16.85 time= 0.57
 Following    1 images are candidates for TS:    2  
 Converged to TS (number of iterations):         44
 DNEB run yielded 1 true transition state(s) time=   5.10

 >>>>>  Path run for ts 6 ...
 Plus  side of path:                     612 steps. Energy=    -536.2553621       time=       1.52
 Minus side of path:                     613 steps. Energy=    -536.6420726       time=       1.52

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -536.2553621  8.3296         -527.9258103  8.7163         -536.6420726   2.640   1.691  70.757   1.512
        Known (#7)                                              *NEW* (Placed in 9)
 Unconnected minimum 9 found its way to F set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 4 >>>>>>>>>>>>>>>>>>>>> 9 minima and 6 ts are known >>>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      4 steps with      1 missing connections, weight=     1899.4    
 decide> The unconnected minima in the chain and their distances are:
     9       12.38     1 
 

 tryconnect> 105-iteration DNEB run for minima 1_S and 9_F using 3 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      7.835261665    
 Double-ended search iterations= 105 RMS= 1.1506 Dev= 1.83% S= 16.86 time= 0.59
 Following    1 images are candidates for TS:    2  
 Converged to TS (number of iterations):         77
 DNEB run yielded 1 true transition state(s) time=   7.92

 >>>>>  Path run for ts 7 ...
 Plus  side of path:                     605 steps. Energy=    -534.8856454       time=       1.51
 Minus side of path:                     593 steps. Energy=    -534.8605196       time=       1.49

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -534.8856454 0.84270E-01     -534.8013755 0.59144E-01     -534.8605196   1.915   1.905   6.678  16.023
        *NEW* (Placed in 10)                                    *NEW* (Placed in 11)
 Connection established between members of the U set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 5 >>>>>>>>>>>>>>>>>>>>> 11 minima and 7 ts are known >>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      5 steps with      2 missing connections, weight=     2333.4    
 decide> The unconnected minima in the chain and their distances are:
     9        9.47    11    11       11.41     1 
 

 tryconnect> 70-iteration DNEB run for minima 9_F and 11_U using 2 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      5.050679530    
 Double-ended search iterations= 70 RMS= 0.8265 Dev= 0.85% S= 10.39 time= 0.29
 Following    1 images are candidates for TS:    2  
 Failed to converge to TS (number of iterations):        251
 DNEB run yielded 0 true transition state(s) time=  43.19

 tryconnect> 105-iteration DNEB run for minima 1_S and 11_U using 3 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      10.50000000    
 Double-ended search iterations= 105 RMS= 8.3813 Dev= 2.82% S= 16.92 time= 0.53
 Following    1 images are candidates for TS:    2  
 Converged to TS (number of iterations):         70
 DNEB run yielded 1 true transition state(s) time=   7.26
 isnewts> transition state is the same as number        7 energy=     -534.8013754562
 tryconnect> Try the path again for ts      1 with pushoff=    0.1000000000E-01

 >>>>>  Path run for ts 8 ...
 tryconnect> Trying this transition state path again with pushoff=    0.1000000000E-01
 Plus  side of path:                     611 steps. Energy=    -534.8856454       time=       1.52
 Minus side of path:                     596 steps. Energy=    -534.8605196       time=       1.47

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -534.8856454 0.84270E-01     -534.8013755 0.59144E-01     -534.8605196   1.915   1.905   6.677  16.024
        Known (#10)                                             Known (#11)
 Connection established between members of the U set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 6 >>>>>>>>>>>>>>>>>>>>> 11 minima and 8 ts are known >>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      5 steps with      2 missing connections, weight=     2398.6    
 decide> The unconnected minima in the chain and their distances are:
     7        9.67    11    10       11.43     1 
 

 tryconnect> 70-iteration DNEB run for minima 7_F and 11_U using 2 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      5.050679530    
 Double-ended search iterations= 70 RMS= 0.6252 Dev= 0.77% S= 10.80 time= 0.29
 Following    1 images are candidates for TS:    2  
 Failed to converge to TS (number of iterations):        251
 DNEB run yielded 0 true transition state(s) time=  32.36

 tryconnect> 105-iteration DNEB run for minima 1_S and 10_U using 3 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      8.638375985    
 Double-ended search iterations= 105 RMS= 2.4059 Dev= 2.73% S= 17.11 time= 0.50
 Following    1 images are candidates for TS:    2  
 Converged to TS (number of iterations):        125
 DNEB run yielded 1 true transition state(s) time=  11.38

 >>>>>  Path run for ts 9 ...
 Plus  side of path:                     644 steps. Energy=    -533.2237188       time=       1.59
 Minus side of path:                     639 steps. Energy=    -534.3626992       time=       1.57

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -533.2237188 0.77505         -532.4486737  1.9140         -534.3626992   9.277   6.820   4.292  24.932
        *NEW* (Placed in 12)                                    *NEW* (Placed in 13)
 Connection established between members of the U set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 7 >>>>>>>>>>>>>>>>>>>>> 13 minima and 9 ts are known >>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      6 steps with      3 missing connections, weight=     2310.1    
 decide> The unconnected minima in the chain and their distances are:
     9       10.09    10    10       10.27    13    13        5.85     1 
 

 tryconnect> 105-iteration DNEB run for minima 9_F and 10_U using 3 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      3.589423646    
 Double-ended search iterations= 105 RMS= 0.2480 Dev= 0.59% S= 11.28 time= 0.64
 Following    1 images are candidates for TS:    2  
 Converged to TS (number of iterations):         59
 DNEB run yielded 1 true transition state(s) time=   6.08

 >>>>>  Path run for ts 10 ...
 Plus  side of path:                     768 steps. Energy=    -534.8965055       time=       1.96
 Minus side of path:                     687 steps. Energy=    -536.6420726       time=       1.73

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -534.8965055  2.0998         -532.7967065  3.8454         -536.6420726  19.507  10.742   6.757  15.834
        *NEW* (Placed in 14)                                    Known (#9)
 Unconnected minimum 14 found its way to F set.

 tryconnect> 105-iteration DNEB run for minima 10_U and 13_U using 3 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      8.638375985    
 Double-ended search iterations= 105 RMS= 1.9401 Dev= 3.50% S= 15.81 time= 0.54
 Following    1 images are candidates for TS:    2  
 Converged to TS (number of iterations):         91
 DNEB run yielded 1 true transition state(s) time=   8.58
 isnewts> transition state is the same as number        9 energy=     -532.4486736777
 tryconnect> Try the path again for ts      1 with pushoff=    0.1000000000E-01

 >>>>>  Path run for ts 11 ...
 tryconnect> Trying this transition state path again with pushoff=    0.1000000000E-01
 Plus  side of path:                     630 steps. Energy=    -533.2237188       time=       1.55
 Minus side of path:                     646 steps. Energy=    -534.3626992       time=       1.59

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -533.2237188 0.77505         -532.4486737  1.9140         -534.3626992   9.278   6.822   4.279  25.008
        Known (#12)                                             Known (#13)
 Connection established between members of the U set.

 tryconnect> 70-iteration DNEB run for minima 1_S and 13_U using 2 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      7.462153966    
 Double-ended search iterations= 70 RMS= 1.1991 Dev= 1.02% S= 7.83 time= 0.28
 Following    1 images are candidates for TS:    1  
 Converged to TS (number of iterations):         18
 DNEB run yielded 1 true transition state(s) time=   2.73

 >>>>>  Path run for ts 12 ...
 Plus  side of path:                     611 steps. Energy=    -534.3626992       time=       1.50
 Minus side of path:                     621 steps. Energy=    -533.8533828       time=       1.53

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -534.3626992  3.1283         -531.2344038  2.6190         -533.8533828   7.841   5.864  27.050   3.956
        Known (#13)                                             Known (#1)
 Unconnected minimum 13 found its way to S set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 8 >>>>>>>>>>>>>>>>>>>>> 14 minima and 12 ts are known >>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      6 steps with      1 missing connections, weight=     1019.2    
 decide> The unconnected minima in the chain and their distances are:
    14       10.06    13 
 

 tryconnect> 105-iteration DNEB run for minima 13_S and 14_F using 3 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      14.07100423    
 Double-ended search iterations= 105 RMS= 3.0504 Dev= 1.12% S= 15.23 time= 0.54
 Following    1 images are candidates for TS:    2  
 Converged to TS (number of iterations):         55
 DNEB run yielded 1 true transition state(s) time=   5.72

 >>>>>  Path run for ts 13 ...
 Plus  side of path:                     687 steps. Energy=    -533.5817879       time=       1.72
 Minus side of path:                     660 steps. Energy=    -533.2237188       time=       1.63

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -533.5817879  3.2834         -530.2984009  2.9253         -533.2237188  15.922  10.173  15.932   6.716
        *NEW* (Placed in 15)                                    Known (#12)
 Unconnected minimum 15 found its way to S set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 9 >>>>>>>>>>>>>>>>>>>>> 15 minima and 13 ts are known >>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has     10 steps with      2 missing connections, weight=     272.62    
 decide> The unconnected minima in the chain and their distances are:
    14        2.09    10    11        6.41    15 
 

 tryconnect> 70-iteration DNEB run for minima 10_U and 14_F using 2 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      5.050679530    
 Double-ended search iterations= 70 RMS= 0.0274 Dev= 0.02% S= 2.12 time= 0.28
 Following    1 images are candidates for TS:    1  
 Converged to TS (number of iterations):         14
 DNEB run yielded 1 true transition state(s) time=   2.43

 >>>>>  Path run for ts 14 ...
 Plus  side of path:                     575 steps. Energy=    -534.8856454       time=       1.40
 Minus side of path:                     580 steps. Energy=    -534.8965055       time=       1.41

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -534.8856454 0.72520E-02     -534.8783934 0.18112E-01     -534.8965055   2.180   2.092  24.374   4.390
        Known (#10)                                             Known (#14)
 Unconnected minimum 10 found its way to F set.

 tryconnect> 70-iteration DNEB run for minima 11_F and 15_S using 2 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      5.050679530    
 Double-ended search iterations= 70 RMS= 0.2721 Dev= 0.39% S= 6.68 time= 0.28
 Following    1 images are candidates for TS:    1  
 Converged to TS (number of iterations):         41
 DNEB run yielded 1 true transition state(s) time=   4.65

 >>>>>  Path run for ts 15 ...
 Plus  side of path:                     630 steps. Energy=    -534.8856454       time=       1.56
 Minus side of path:                     636 steps. Energy=    -533.5817879       time=       1.58

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -534.8856454  2.0277         -532.8579907 0.72380         -533.5817879   8.889   6.760   4.548  23.525
        Known (#10)                                             Known (#15)
 Connected path found
  ts        E+         Ets - E+          Ets       Ets - E-          E-          S       D      gamma   ~N
  12     -533.8533828  2.6190        -531.2344038  3.1283        -534.3626992   7.841   5.864  27.050   3.956
   9     -534.3626992  1.9140        -532.4486737 0.77505        -533.2237188   9.277   6.820   4.292  24.932
  13     -533.2237188  2.9253        -530.2984009  3.2834        -533.5817879  15.922  10.173  15.932   6.716
  15     -533.5817879 0.72380        -532.8579907  2.0277        -534.8856454   8.889   6.760   4.548  23.525
  14     -534.8856454 0.72520E-02    -534.8783934 0.18112E-01    -534.8965055   2.180   2.092  24.374   4.390
  10     -534.8965055  2.0998        -532.7967065  3.8454        -536.6420726  19.507  10.742   6.757  15.834
   6     -536.6420726  8.7163        -527.9258103  8.3296        -536.2553621   2.640   1.691  70.757   1.512
   3     -536.2553621  2.3611        -533.8942268 0.38805        -534.2822792  18.754  17.556   2.152  49.719
   5     -534.2822792  2.1212        -532.1611069  3.2865        -535.4476289  18.195  13.031   4.295  24.914

 Number of TS in the path       =      9
 Number of cycles               =      9

 Elapsed time=                               282.78
 OPTIM> # of energy calls=                          0 time=           0.00 %=  0.0
 OPTIM> # of energy+gradient calls=             61143 time=         122.69 %= 43.4
 OPTIM> # of energy+gradient+Hessian calls=      1562 time=          84.66 %= 29.9
