possible FAILURE: (ignored)  check mdout.mcwat.dif
/jet/home/XXXX/amber22/test/mcwat
104c104
<  Water move success.  Probability of movement:   0.56122010597643790
---
>  Water move success.  Probability of movement:   0.58383888968818054
106c106
<  Accepted probability:    6.5925926193774728E-2
---
>  Accepted probability:    5.1831887462351990E-2
108c108
<  Etot   =      1098.6118  EKtot   =      1780.5462  EPtot      =      -681.9343
---
>  Etot   =      1098.7982  EKtot   =      1780.5461  EPtot      =      -681.7479
110,112c110,112
<  1-4 NB =         0.  1-4 EEL =         0.  VDWAALS    =       126.2533
<  EELEC  =      -808.1876  EHBOND  =         0.  RESTRAINT  =         0.
<  Ewald error estimate:   0.8954E-4
---
>  1-4 NB =         0.  1-4 EEL =         0.  VDWAALS    =       126.2574
>  EELEC  =      -808.0053  EHBOND  =         0.  RESTRAINT  =         0.
>  Ewald error estimate:   0.8223E-4
115c115
<  Etot   =      1098.1344  EKtot   =      1780.0673  EPtot      =      -681.9329
---
>  Etot   =      1098.3207  EKtot   =      1780.0673  EPtot      =      -681.7465
117,119c117,119
<  1-4 NB =         0.  1-4 EEL =         0.  VDWAALS    =       126.2552
<  EELEC  =      -808.1881  EHBOND  =         0.  RESTRAINT  =         0.
<  Ewald error estimate:   0.8938E-4
---
>  1-4 NB =         0.  1-4 EEL =         0.  VDWAALS    =       126.2593
>  EELEC  =      -808.0058  EHBOND  =         0.  RESTRAINT  =         0.
>  Ewald error estimate:   0.8208E-4
122c122
<  Etot   =      1098.1301  EKtot   =      1780.0616  EPtot      =      -681.9315
---
>  Etot   =      1098.3165  EKtot   =      1780.0616  EPtot      =      -681.7451
124,126c124,126
<  1-4 NB =         0.  1-4 EEL =         0.  VDWAALS    =       126.2570
<  EELEC  =      -808.1885  EHBOND  =         0.  RESTRAINT  =         0.
<  Ewald error estimate:   0.8923E-4
---
>  1-4 NB =         0.  1-4 EEL =         0.  VDWAALS    =       126.2611
>  EELEC  =      -808.0062  EHBOND  =         0.  RESTRAINT  =         0.
>  Ewald error estimate:   0.8193E-4
129c129
<  Etot   =      1098.3686  EKtot   =      1780.2981  EPtot      =      -681.9295
---
>  Etot   =      1098.5550  EKtot   =      1780.2980  EPtot      =      -681.7430
131,133c131,133
<  1-4 NB =         0.  1-4 EEL =         0.  VDWAALS    =       126.2589
<  EELEC  =      -808.1883  EHBOND  =         0.  RESTRAINT  =         0.
<  Ewald error estimate:   0.1003E-3
---
>  1-4 NB =         0.  1-4 EEL =         0.  VDWAALS    =       126.2629
>  EELEC  =      -808.0059  EHBOND  =         0.  RESTRAINT  =         0.
>  Ewald error estimate:   0.9299E-4
136c136
<  Etot   =      1098.5801  EKtot   =      1780.5070  EPtot      =      -681.9269
---
>  Etot   =      1098.7665  EKtot   =      1780.5069  EPtot      =      -681.7404
138,140c138,140
<  1-4 NB =         0.  1-4 EEL =         0.  VDWAALS    =       126.2607
<  EELEC  =      -808.1876  EHBOND  =         0.  RESTRAINT  =         0.
<  Ewald error estimate:   0.1225E-3
---
>  1-4 NB =         0.  1-4 EEL =         0.  VDWAALS    =       126.2648
>  EELEC  =      -808.0052  EHBOND  =         0.  RESTRAINT  =         0.
>  Ewald error estimate:   0.1153E-3
143c143
<  Etot   =      1098.7703  EKtot   =      1780.6959  EPtot      =      -681.9257
---
>  Etot   =      1098.9566  EKtot   =      1780.6958  EPtot      =      -681.7391
145,147c145,147
<  1-4 NB =         0.  1-4 EEL =         0.  VDWAALS    =       126.2627
<  EELEC  =      -808.1883  EHBOND  =         0.  RESTRAINT  =         0.
<  Ewald error estimate:   0.1224E-3
---
>  1-4 NB =         0.  1-4 EEL =         0.  VDWAALS    =       126.2667
>  EELEC  =      -808.0059  EHBOND  =         0.  RESTRAINT  =         0.
>  Ewald error estimate:   0.1151E-3
150c150
<  Etot   =      1098.5478  EKtot   =      1780.4724  EPtot      =      -681.9246
---
>  Etot   =      1098.7342  EKtot   =      1780.4723  EPtot      =      -681.7381
152,154c152,154
<  1-4 NB =         0.  1-4 EEL =         0.  VDWAALS    =       126.2646
<  EELEC  =      -808.1892  EHBOND  =         0.  RESTRAINT  =         0.
<  Ewald error estimate:   0.1222E-3
---
>  1-4 NB =         0.  1-4 EEL =         0.  VDWAALS    =       126.2687
>  EELEC  =      -808.0067  EHBOND  =         0.  RESTRAINT  =         0.
>  Ewald error estimate:   0.1149E-3
157c157
<  Etot   =      1098.3977  EKtot   =      1780.3210  EPtot      =      -681.9233
---
>  Etot   =      1098.5841  EKtot   =      1780.3208  EPtot      =      -681.7368
159,161c159,161
<  1-4 NB =         0.  1-4 EEL =         0.  VDWAALS    =       126.2667
<  EELEC  =      -808.1900  EHBOND  =         0.  RESTRAINT  =         0.
<  Ewald error estimate:   0.1221E-3
---
>  1-4 NB =         0.  1-4 EEL =         0.  VDWAALS    =       126.2707
>  EELEC  =      -808.0075  EHBOND  =         0.  RESTRAINT  =         0.
>  Ewald error estimate:   0.1148E-3
164c164
<  Etot   =      1098.4957  EKtot   =      1780.4176  EPtot      =      -681.9219
---
>  Etot   =      1098.6821  EKtot   =      1780.4175  EPtot      =      -681.7354
166,168c166,168
<  1-4 NB =         0.  1-4 EEL =         0.  VDWAALS    =       126.2687
<  EELEC  =      -808.1906  EHBOND  =         0.  RESTRAINT  =         0.
<  Ewald error estimate:   0.1219E-3
---
>  1-4 NB =         0.  1-4 EEL =         0.  VDWAALS    =       126.2728
>  EELEC  =      -808.0081  EHBOND  =         0.  RESTRAINT  =         0.
>  Ewald error estimate:   0.1146E-3
171c171
<  Etot   =      1098.3036  EKtot   =      1780.2240  EPtot      =      -681.9203
---
>  Etot   =      1098.4900  EKtot   =      1780.2238  EPtot      =      -681.7337
173,175c173,175
<  1-4 NB =         0.  1-4 EEL =         0.  VDWAALS    =       126.2708
<  EELEC  =      -808.1911  EHBOND  =         0.  RESTRAINT  =         0.
<  Ewald error estimate:   0.1217E-3
---
>  1-4 NB =         0.  1-4 EEL =         0.  VDWAALS    =       126.2748
>  EELEC  =      -808.0086  EHBOND  =         0.  RESTRAINT  =         0.
>  Ewald error estimate:   0.1145E-3
179c179
<  Etot   =      1098.4340  EKtot   =      1780.3611  EPtot      =      -681.9271
---
>  Etot   =      1098.6204  EKtot   =      1780.3610  EPtot      =      -681.7406
181,183c181,183
<  1-4 NB =         0.  1-4 EEL =         0.  VDWAALS    =       126.2619
<  EELEC  =      -808.1890  EHBOND  =         0.  RESTRAINT  =         0.
<  Ewald error estimate:   0.1101E-3
---
>  1-4 NB =         0.  1-4 EEL =         0.  VDWAALS    =       126.2659
>  EELEC  =      -808.0065  EHBOND  =         0.  RESTRAINT  =         0.
>  Ewald error estimate:   0.1028E-3
187c187
<  Etot   =         0.1969  EKtot   =         0.1959  EPtot      =         0.0045
---
>  Etot   =         0.1969  EKtot   =         0.1959  EPtot      =         0.0046
190,191c190,191
<  EELEC  =         0.0012  EHBOND  =         0.  RESTRAINT  =         0.
<  Ewald error estimate:   0.1501E-4
---
>  EELEC  =         0.0011  EHBOND  =         0.  RESTRAINT  =         0.
>  Ewald error estimate:   0.1503E-4
---------------------------------------

