possible FAILURE:  check nmd_min.out.dif
/Applications/Amber11/test/newton_raph
35,36c35,36
<           b1 =    0.0368 b2 =   0.0690 tlamba =   -0.0631
<           rms of step length = 0.000058721
---
>           b1 =    0.0707 b2 =   0.1834 tlamba =   -0.0292
>           rms of step length = 0.000088928
40c40
<      F =  -0.65868E+1    GRDMAX = 0.26913E-3    GNORM = 0.48176E-4
---
>      F =  -0.65868E+1    GRDMAX = 0.19892E-3    GNORM = 0.36720E-4
47,48c47,48
<           b1 =    0.0368 b2 =   0.0690 tlamba =   -0.0631
<           rms of step length = 0.000037116
---
>           b1 =    0.0707 b2 =   0.1834 tlamba =   -0.0292
>           rms of step length = 0.000039317
52c52
<      F =  -0.65868E+1    GRDMAX = 0.16806E-3    GNORM = 0.30217E-4
---
>      F =  -0.65868E+1    GRDMAX = 0.83968E-4    GNORM = 0.15047E-4
59,60c59,60
<           b1 =    0.0368 b2 =   0.0690 tlamba =   -0.0631
<           rms of step length = 0.000023444
---
>           b1 =    0.0707 b2 =   0.1833 tlamba =   -0.0292
>           rms of step length = 0.000017382
64c64
<      F =  -0.65868E+1    GRDMAX = 0.10532E-3    GNORM = 0.19017E-4
---
>      F =  -0.65868E+1    GRDMAX = 0.36329E-4    GNORM = 0.65408E-5
71,72c71,72
<           b1 =    0.0369 b2 =   0.0690 tlamba =   -0.0630
<           rms of step length = 0.000014801
---
>           b1 =    0.0707 b2 =   0.1833 tlamba =   -0.0292
>           rms of step length = 0.000007683
76c76
<      F =  -0.65868E+1    GRDMAX = 0.66160E-4    GNORM = 0.11984E-4
---
>      F =  -0.65868E+1    GRDMAX = 0.15898E-4    GNORM = 0.28800E-5
83,84c83,84
<           b1 =    0.0369 b2 =   0.0690 tlamba =   -0.0630
<           rms of step length = 0.000009342
---
>           b1 =    0.0707 b2 =   0.1833 tlamba =   -0.0292
>           rms of step length = 0.000003395
88c88
<      F =  -0.65868E+1    GRDMAX = 0.41617E-4    GNORM = 0.75563E-5
---
>      F =  -0.65868E+1    GRDMAX = 0.69938E-5    GNORM = 0.12715E-5
95,96c95,96
<           b1 =    0.0369 b2 =   0.0690 tlamba =   -0.0630
<           rms of step length = 0.000005895
---
>           b1 =    0.0707 b2 =   0.1833 tlamba =   -0.0292
>           rms of step length = 0.000001500
100c100
<      F =  -0.65868E+1    GRDMAX = 0.26203E-4    GNORM = 0.47653E-5
---
>      F =  -0.65868E+1    GRDMAX = 0.30837E-5    GNORM = 0.56165E-6
107,108c107,108
<           b1 =    0.0369 b2 =   0.0690 tlamba =   -0.0630
<           rms of step length = 0.000003719
---
>           b1 =    0.0707 b2 =   0.1833 tlamba =   -0.0292
>           rms of step length = 0.000000663
112c112
<      F =  -0.65868E+1    GRDMAX = 0.16508E-4    GNORM = 0.30054E-5
---
>      F =  -0.65868E+1    GRDMAX = 0.13611E-5    GNORM = 0.24813E-6
119,120c119,120
<           b1 =    0.0369 b2 =   0.0690 tlamba =   -0.0630
<           rms of step length = 0.000002346
---
>           b1 =    0.0707 b2 =   0.1833 tlamba =   -0.0292
>           rms of step length = 0.000000292
124c124
<      F =  -0.65868E+1    GRDMAX = 0.10404E-4    GNORM = 0.18955E-5
---
>      F =  -0.65868E+1    GRDMAX = 0.60112E-6    GNORM = 0.10962E-6
131,132c131,132
<           b1 =    0.0369 b2 =   0.0690 tlamba =   -0.0630
<           rms of step length = 0.000001480
---
>           b1 =    0.0707 b2 =   0.1833 tlamba =   -0.0292
>           rms of step length = 0.000000129
136,208c136
<      F =  -0.65868E+1    GRDMAX = 0.65593E-5    GNORM = 0.11955E-5
<        NONB              ELE               HBOND             BOND
<     -0.4410E+1        -0.2007E+2         0.         0.3888
<        ANGLE             DIHED             NB14              EEL14
<      0.1041E+1         0.5975E+1         0.4922E+1         0.5574E+1
<        POL               E-3BOD
<      0.         0.
<           b1 =    0.0369 b2 =   0.0690 tlamba =   -0.0630
<           rms of step length = 0.000000933
<           ene @step k-1 =       -6.58679  ene @k =       -6.58679
<  *****************        *****************        *****************
<    step =         10
<      F =  -0.65868E+1    GRDMAX = 0.41357E-5    GNORM = 0.75407E-6
<        NONB              ELE               HBOND             BOND
<     -0.4410E+1        -0.2007E+2         0.         0.3888
<        ANGLE             DIHED             NB14              EEL14
<      0.1041E+1         0.5975E+1         0.4922E+1         0.5574E+1
<        POL               E-3BOD
<      0.         0.
<           b1 =    0.0369 b2 =   0.0690 tlamba =   -0.0630
<           rms of step length = 0.000000588
<           ene @step k-1 =       -6.58679  ene @k =       -6.58679
<  *****************        *****************        *****************
<    step =         11
<      F =  -0.65868E+1    GRDMAX = 0.26079E-5    GNORM = 0.47561E-6
<        NONB              ELE               HBOND             BOND
<     -0.4410E+1        -0.2007E+2         0.         0.3888
<        ANGLE             DIHED             NB14              EEL14
<      0.1041E+1         0.5975E+1         0.4922E+1         0.5574E+1
<        POL               E-3BOD
<      0.         0.
<           b1 =    0.0369 b2 =   0.0690 tlamba =   -0.0630
<           rms of step length = 0.000000371
<           ene @step k-1 =       -6.58679  ene @k =       -6.58679
<  *****************        *****************        *****************
<    step =         12
<      F =  -0.65868E+1    GRDMAX = 0.16446E-5    GNORM = 0.29997E-6
<        NONB              ELE               HBOND             BOND
<     -0.4410E+1        -0.2007E+2         0.         0.3888
<        ANGLE             DIHED             NB14              EEL14
<      0.1041E+1         0.5975E+1         0.4922E+1         0.5574E+1
<        POL               E-3BOD
<      0.         0.
<           b1 =    0.0369 b2 =   0.0690 tlamba =   -0.0630
<           rms of step length = 0.000000234
<           ene @step k-1 =       -6.58679  ene @k =       -6.58679
<  *****************        *****************        *****************
<    step =         13
<      F =  -0.65868E+1    GRDMAX = 0.10372E-5    GNORM = 0.18920E-6
<        NONB              ELE               HBOND             BOND
<     -0.4410E+1        -0.2007E+2         0.         0.3888
<        ANGLE             DIHED             NB14              EEL14
<      0.1041E+1         0.5975E+1         0.4922E+1         0.5574E+1
<        POL               E-3BOD
<      0.         0.
<           b1 =    0.0369 b2 =   0.0690 tlamba =   -0.0630
<           rms of step length = 0.000000147
<           ene @step k-1 =       -6.58679  ene @k =       -6.58679
<  *****************        *****************        *****************
<    step =         14
<      F =  -0.65868E+1    GRDMAX = 0.65417E-6    GNORM = 0.11933E-6
<        NONB              ELE               HBOND             BOND
<     -0.4410E+1        -0.2007E+2         0.         0.3888
<        ANGLE             DIHED             NB14              EEL14
<      0.1041E+1         0.5975E+1         0.4922E+1         0.5574E+1
<        POL               E-3BOD
<      0.         0.
<           b1 =    0.0369 b2 =   0.0690 tlamba =   -0.0630
<           rms of step length = 0.000000093
<           ene @step k-1 =       -6.58679  ene @k =       -6.58679
<  *****************        *****************        *****************
<    step =         15
<      F =  -0.65868E+1    GRDMAX = 0.41258E-6    GNORM = 0.75267E-7
---
>      F =  -0.65868E+1    GRDMAX = 0.26552E-6    GNORM = 0.48433E-7
219c147
<      F =  -0.65868E+1    GRDMAX = 0.41258E-6    GNORM = 0.75267E-7
---
>      F =  -0.65868E+1    GRDMAX = 0.26552E-6    GNORM = 0.48433E-7
---------------------------------------
possible FAILURE:  check mdout.tip5p.dif
/Applications/Amber11/test/tip5p
259,260d258
<  EKCMT  =         0.237  VIRIAL  =        15.560  VOLUME     =         0.000
<                                                     Density    =         0.
---------------------------------------

