
 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 05/23/2012 at 21:53:20
  [-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


 OPTIM> Using translational/rotational ev shift=     1000000.000    
 OPTIM> Initial energy=    -448.1337176     RMS force=    0.9712819871E-06
 OPTIM> Final energy  =    -451.6606536     RMS force=    0.9671631547E-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=    0.20591E+06
 decide> The unconnected minima in the chain and their distances are:
     2       59.05     1 
 

 tryconnect> 595-iteration DNEB run for minima 1_S and 2_F using 17 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant     0.1580918855    
 Double-ended search iterations= 595 RMS= 0.0262 Dev= 5.22% S= 71.24 time= 77.70
 Following    2 images are candidates for TS:    4    6  
 Converged to TS (number of iterations):         89
 Converged to TS (number of iterations):        167
 DNEB run yielded 2 true transition state(s) time= 182.69

 >>>>>  Path run for ts 1 ...
 Plus  side of path:                    1285 steps. Energy=    -450.5744434       time=      17.24
 Minus side of path:                    1259 steps. Energy=    -450.1659579       time=      16.27

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -450.5744434 0.82714         -449.7473053 0.41865         -450.1659579   8.114   7.790  20.372  10.701
        *NEW* (Placed in 3)                                     *NEW* (Placed in 4)
 Connection established between members of the U set.

 >>>>>  Path run for ts 2 ...
 Plus  side of path:                    1560 steps. Energy=    -449.3136650       time=      19.85
 Minus side of path:                    2809 steps. Energy=    -450.5346433       time=      53.55

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -449.3136650 0.65445         -448.6592164  1.8754         -450.5346433  94.873  82.940   2.173 100.320
        *NEW* (Placed in 5)                                     *NEW* (Placed in 6)
 Connection established between members of the U set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 2 >>>>>>>>>>>>>>>>>>>>> 6 minima and 2 ts are known >>>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      3 steps with      2 missing connections, weight=    0.23308E+06
 decide> The unconnected minima in the chain and their distances are:
     2       56.59     6     5       37.29     1 
 

 tryconnect> 560-iteration DNEB run for minima 2_F and 6_U using 16 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant     0.4234464577E-01
 Double-ended search iterations= 560 RMS= 0.0544 Dev= 0.59% S= 60.95 time= 68.22
 Following    1 images are candidates for TS:    9  
 Failed to converge to TS (number of iterations):        251
 DNEB run yielded 0 true transition state(s) time= 143.54

 tryconnect> 385-iteration DNEB run for minima 1_S and 5_U using 11 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant     0.2335737168    
 Double-ended search iterations= 385 RMS= 0.0336 Dev= 0.66% S= 38.48 time= 32.32
 Following    1 images are candidates for TS:    5  
 Converged to TS (number of iterations):         32
 DNEB run yielded 1 true transition state(s) time=  30.88

 >>>>>  Path run for ts 3 ...
 Plus  side of path:                    1324 steps. Energy=    -448.8224971       time=      16.63
 Minus side of path:                    1301 steps. Energy=    -449.3136650       time=      17.28

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -448.8224971 0.45769         -448.3648077 0.94886         -449.3136650   9.761   8.987  17.816  12.236
        *NEW* (Placed in 7)                                     Known (#5)
 Connection established between members of the U set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 3 >>>>>>>>>>>>>>>>>>>>> 7 minima and 3 ts are known >>>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      3 steps with      2 missing connections, weight=    0.28188E+06
 decide> The unconnected minima in the chain and their distances are:
     2       58.27     3     4       43.80     1 
 

 tryconnect> 595-iteration DNEB run for minima 2_F and 3_U using 17 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant     0.3009354918E-01
 Double-ended search iterations= 595 RMS= 0.0259 Dev= 2.79% S= 68.29 time= 77.63
 Following    2 images are candidates for TS:   11   17  
 Converged to TS (number of iterations):        183
 Converged to TS (number of iterations):         19
 DNEB run yielded 2 true transition state(s) time= 137.59

 >>>>>  Path run for ts 4 ...
 Plus  side of path:                    1314 steps. Energy=    -451.8426369       time=      14.08
 Minus side of path:                    1332 steps. Energy=    -452.3902826       time=      14.70

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -451.8426369 0.15553         -451.6871022 0.70318         -452.3902826  35.637  30.946   1.957 111.399
        *NEW* (Placed in 8)                                     *NEW* (Placed in 9)
 Connection established between members of the U set.

 >>>>>  Path run for ts 5 ...
 Plus  side of path:                    1344 steps. Energy=    -451.2258377       time=      15.30
 Minus side of path:                    1285 steps. Energy=    -450.5744434       time=      14.46

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -451.2258377 0.70929         -450.5165434 0.57900E-01     -450.5744434  20.939  20.493   1.936 112.628
        *NEW* (Placed in 10)                                    Known (#3)
 Connection established between members of the U set.

 tryconnect> 455-iteration DNEB run for minima 1_S and 4_U using 13 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant     0.1179705990    
 Double-ended search iterations= 455 RMS= 0.0245 Dev= 0.67% S= 47.29 time= 44.53
 Following    1 images are candidates for TS:    4  
 Converged to TS (number of iterations):        100
 DNEB run yielded 1 true transition state(s) time=  53.73

 >>>>>  Path run for ts 6 ...
 Plus  side of path:                    1581 steps. Energy=    -448.8985101       time=      18.38
 Minus side of path:                    1299 steps. Energy=    -448.1424609       time=      13.81

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -448.8985101 0.75731         -448.1411986 0.12623E-02     -448.1424609  31.439  30.934   1.746 124.865
        *NEW* (Placed in 11)                                    *NEW* (Placed in 12)
 Connection established between members of the U set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 4 >>>>>>>>>>>>>>>>>>>>> 12 minima and 6 ts are known >>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      4 steps with      3 missing connections, weight=    0.11433E+06
 decide> The unconnected minima in the chain and their distances are:
     2       42.16     9     8       33.49    12    12       12.22     1 
 

 tryconnect> 420-iteration DNEB run for minima 2_F and 9_U using 12 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant     0.1659964797    
 Double-ended search iterations= 420 RMS= 0.0500 Dev= 0.19% S= 43.66 time= 37.59
 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= 145.10

 tryconnect> 350-iteration DNEB run for minima 8_U and 12_U using 10 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant     0.3286616756    
 Double-ended search iterations= 350 RMS= 0.1797 Dev= 0.71% S= 36.52 time= 26.20
 Following    2 images are candidates for TS:    4    8  
 Converged to TS (number of iterations):         95
 Converged to TS (number of iterations):        112
 DNEB run yielded 2 true transition state(s) time= 126.31

 >>>>>  Path run for ts 7 ...
 Plus  side of path:                    1594 steps. Energy=    -452.0258400       time=      18.66
 Minus side of path:                    2113 steps. Energy=    -456.8879442       time=      29.34

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -452.0258400  1.0773         -450.9484922  5.9395         -456.8879442  91.080  75.740   1.866 116.804
        *NEW* (Placed in 13)                                    *NEW* (Placed in 14)
 Connection established between members of the U set.

 >>>>>  Path run for ts 8 ...
 Plus  side of path:                    1258 steps. Energy=    -451.6649225       time=      13.26
 Minus side of path:                    1293 steps. Energy=    -452.0258400       time=      13.70

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -451.6649225 0.48810         -451.1768212 0.84902         -452.0258400   9.051   8.322  16.717  13.041
        *NEW* (Placed in 15)                                    Known (#13)
 Connection established between members of the U set.

 tryconnect> 105-iteration DNEB run for minima 1_S and 12_U using 3 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      3.589423646    
 Double-ended search iterations= 105 RMS= 0.0335 Dev= 0.01% S= 12.24 time= 2.38
 Following    1 images are candidates for TS:    2  
 Converged to TS (number of iterations):        138
 DNEB run yielded 1 true transition state(s) time=  79.32

 >>>>>  Path run for ts 9 ...
 Plus  side of path:                    1413 steps. Energy=    -448.8985101       time=      15.85
 Minus side of path:                    1467 steps. Energy=    -448.8224971       time=      17.25

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -448.8985101 0.72779         -448.1707157 0.65178         -448.8224971  44.982  42.033   1.610 135.443
        Known (#11)                                             Known (#7)
 Connection established between members of the U set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 5 >>>>>>>>>>>>>>>>>>>>> 15 minima and 9 ts are known >>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      2 steps with      2 missing connections, weight=    0.15523E+06
 decide> The unconnected minima in the chain and their distances are:
     2       53.32    12    12       12.22     1 
 

 tryconnect> 525-iteration DNEB run for minima 2_F and 12_U using 15 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant     0.5958316896E-01
 Double-ended search iterations= 525 RMS= 0.0306 Dev= 4.32% S= 61.99 time= 59.35
 Following    2 images are candidates for TS:   11   13  
 Converged to TS (number of iterations):         90
 Converged to TS (number of iterations):         39
 DNEB run yielded 2 true transition state(s) time=  87.79

 >>>>>  Path run for ts 10 ...
 Plus  side of path:                    2363 steps. Energy=    -449.7034664       time=      34.25
 Minus side of path:                    1642 steps. Energy=    -449.8857499       time=      19.44

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -449.7034664  1.3437         -448.3597218  1.5260         -449.8857499  92.899  80.841   1.859 117.286
        *NEW* (Placed in 16)                                    *NEW* (Placed in 17)
 Connection established between members of the U set.

 >>>>>  Path run for ts 11 ...
 Plus  side of path:                    1311 steps. Energy=    -448.3623952       time=      14.05
 Minus side of path:                    2328 steps. Energy=    -449.7034664       time=      33.58

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -448.3623952 0.46160         -447.9007947  1.8027         -449.7034664  50.278  47.316   1.954 111.554
        *NEW* (Placed in 18)                                    Known (#16)
 Connection established between members of the U set.

 tryconnect> 805-iteration DNEB run for minima 1_S and 12_U using 23 images  (DNEB attempt #2)  ...
 lbfgs> Final DNEB force constant     0.4274658726E-02
 Double-ended search iterations= 795 RMS= 0.0010 Dev= 0.99% S= 13.08 time= 137.20
 Following    1 images are candidates for TS:    9  
 Converged to TS (number of iterations):        145
 DNEB run yielded 1 true transition state(s) time=  77.75
 isnewts> transition state is the same as number        6 energy=     -448.1411986292
 tryconnect> Try the path again for ts      1 with pushoff=    0.1000000000E-01

 >>>>>  Path run for ts 12 ...
 tryconnect> Trying this transition state path again with pushoff=    0.1000000000E-01
 Plus  side of path:                    1527 steps. Energy=    -448.8985101       time=      17.66
 Minus side of path:                    1268 steps. Energy=    -448.1424610       time=      13.36

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -448.8985101 0.75731         -448.1411986 0.12623E-02     -448.1424610  31.439  30.933   1.747 124.800
        Known (#11)                                             Known (#12)
 Connection established between members of the U set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 6 >>>>>>>>>>>>>>>>>>>>> 18 minima and 12 ts are known >>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      4 steps with      2 missing connections, weight=    0.10344E+06
 decide> The unconnected minima in the chain and their distances are:
     2       44.45    17    18       24.99     1 
 

 tryconnect> 455-iteration DNEB run for minima 2_F and 17_U using 13 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant     0.1179705990    
 Double-ended search iterations= 455 RMS= 0.0368 Dev= 1.08% S= 46.47 time= 44.85
 Following    1 images are candidates for TS:    9  
 Converged to TS (number of iterations):         20
 DNEB run yielded 1 true transition state(s) time=  23.38

 >>>>>  Path run for ts 13 ...
 Plus  side of path:                    1426 steps. Energy=    -451.6606536       time=      17.30
 Minus side of path:                    1351 steps. Energy=    -449.8857499       time=      16.02

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -451.6606536  2.4225         -449.2381571 0.64759         -449.8857499  45.781  44.457   1.660 131.296
        Known (#2)                                              Known (#17)
 Unconnected minimum 17 found its way to F set.

 tryconnect> 245-iteration DNEB run for minima 1_S and 18_F using 7 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant     0.9156391332    
 Double-ended search iterations= 245 RMS= 0.0308 Dev= 0.16% S= 25.43 time= 12.99
 Following    1 images are candidates for TS:    4  
 Converged to TS (number of iterations):         99
 DNEB run yielded 1 true transition state(s) time=  53.77
 isnewts> transition state is the same as number        6 energy=     -448.1411986289
 tryconnect> Will not repeat search for TS      1 same as TS      6
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 7 >>>>>>>>>>>>>>>>>>>>> 18 minima and 13 ts are known >>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      4 steps with      1 missing connections, weight=     31229.    
 decide> The unconnected minima in the chain and their distances are:
    18       24.99     1 
 

 tryconnect> 805-iteration DNEB run for minima 1_S and 18_F using 23 images  (DNEB attempt #2)  ...
 lbfgs> Final DNEB force constant     0.3877241475E-02
 Double-ended search iterations= 805 RMS= 0.0120 Dev= 2.78% S= 29.11 time= 140.29
 Following    2 images are candidates for TS:    6   12  
 Failed to converge to TS (number of iterations):        251
 Converged to TS (number of iterations):         41
 DNEB run yielded 1 true transition state(s) time= 171.89

 >>>>>  Path run for ts 14 ...
 Plus  side of path:                    1303 steps. Energy=    -448.1424610       time=      15.43
 Minus side of path:                    1342 steps. Energy=    -448.3623952       time=      15.89

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -448.1424610 0.45124E-02     -448.1379485 0.22445         -448.3623952  15.880  15.458   2.528  86.240
        Known (#12)                                             Known (#18)
 Unconnected minimum 12 found its way to F set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 8 >>>>>>>>>>>>>>>>>>>>> 18 minima and 14 ts are known >>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      6 steps with      1 missing connections, weight=     44186.    
 decide> The unconnected minima in the chain and their distances are:
    11       35.35     1 
 

 tryconnect> 350-iteration DNEB run for minima 1_S and 11_F using 10 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant     0.3286616756    
 Double-ended search iterations= 350 RMS= 0.0106 Dev= 0.10% S= 36.37 time= 26.55
 Following    1 images are candidates for TS:    2  
 Converged to TS (number of iterations):        127
 DNEB run yielded 1 true transition state(s) time=  68.86

 >>>>>  Path run for ts 15 ...
 Plus  side of path:                    1357 steps. Energy=    -448.1337176       time=      14.57
 Minus side of path:                    1658 steps. Energy=    -449.4477431       time=      19.69

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -448.1337176 0.18295         -447.9507704  1.4970         -449.4477431  59.248  57.494   2.100 103.825
        Known (#1)                                              *NEW* (Placed in 19)
 Unconnected minimum 19 found its way to S set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 9 >>>>>>>>>>>>>>>>>>>>> 19 minima and 15 ts are known >>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      3 steps with      1 missing connections, weight=     683.12    
 decide> The unconnected minima in the chain and their distances are:
    17        8.81    19 
 

 tryconnect> 70-iteration DNEB run for minima 17_F and 19_S using 2 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      5.050679530    
 Double-ended search iterations= 70 RMS= 0.1273 Dev= 0.19% S= 9.18 time= 1.08
 Following    1 images are candidates for TS:    2  
 Converged to TS (number of iterations):         25
 DNEB run yielded 1 true transition state(s) time=  24.42

 >>>>>  Path run for ts 16 ...
 Plus  side of path:                    1316 steps. Energy=    -449.8857499       time=      14.26
 Minus side of path:                    1284 steps. Energy=    -449.4477431       time=      13.69

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -449.8857499 0.86631         -449.0194437 0.42830         -449.4477431   9.602   8.809  19.556  11.147
        Known (#17)                                             Known (#19)
 Connected path found
  ts        E+         Ets - E+          Ets       Ets - E-          E-          S       D      gamma   ~N
  15     -448.1337176 0.18295        -447.9507704  1.4970        -449.4477431  59.248  57.494   2.100 103.825
  16     -449.4477431 0.42830        -449.0194437 0.86631        -449.8857499   9.602   8.809  19.556  11.147
  13     -449.8857499 0.64759        -449.2381571  2.4225        -451.6606536  45.781  44.457   1.660 131.296

 Number of TS in the path       =      3
 Number of cycles               =      9

 Elapsed time=                              2796.69
 OPTIM> # of energy calls=                          0 time=           0.00 %=  0.0
 OPTIM> # of energy+gradient calls=            186909 time=        1404.37 %= 50.2
 OPTIM> # of energy+gradient+Hessian calls=      2271 time=         659.43 %= 23.6
