<commit_before>Single point energy calculations
cyclopentane
   NSTEP       ENERGY          RMS            GMAX         NAME    NUMBER
      1       1.3890E+03     5.8438E+01     1.1335E+02     C1          1

 BOND    =        0.3021  ANGLE   =        0.1599  DIHED      =     1388.5232
 VDWAALS =        0.0000  EEL     =        0.0000  HBOND      =        0.0000
 1-4 VDW =        0.0000  1-4 EEL =        0.0000  RESTRAINT  =        0.0000
minimization completed, ENE= 0.13889853E+04 RMS= 0.584376E+02

cyclohexane
   NSTEP       ENERGY          RMS            GMAX         NAME    NUMBER
      1       2.3242E+02     1.9249E+01     3.5111E+01     C6          6

 BOND    =        0.5847  ANGLE   =        0.5327  DIHED      =      231.3051
 VDWAALS =        0.0000  EEL     =        0.0000  HBOND      =        0.0000
 1-4 VDW =        0.0000  1-4 EEL =        0.0000  RESTRAINT  =        0.0000
minimization completed, ENE= 0.23242256E+03 RMS= 0.192486E+02
<commit_msg>add energies for amber cycloalkanes<commit_after>Single point energy calculations
cyclopentane
   NSTEP       ENERGY          RMS            GMAX         NAME    NUMBER
      1       8.8537E+02     1.1919E+02     2.1501E+02     C1          1

 BOND    =        0.3021  ANGLE   =        0.1599  DIHED      =      884.9065
 VDWAALS =        0.0000  EEL     =        0.0000  HBOND      =        0.0000
 1-4 VDW =        0.0000  1-4 EEL =        0.0000  RESTRAINT  =        0.0000
minimization completed, ENE= 0.88536857E+03 RMS= 0.119194E+03

cyclohexane
   NSTEP       ENERGY          RMS            GMAX         NAME    NUMBER
      1       1.2695E+02     2.3483E+01     4.3299E+01     C1          1

 BOND    =        0.5847  ANGLE   =        0.5327  DIHED      =      125.8371
 VDWAALS =        0.0000  EEL     =        0.0000  HBOND      =        0.0000
 1-4 VDW =        0.0000  1-4 EEL =        0.0000  RESTRAINT  =        0.0000
minimization completed, ENE= 0.12695453E+03 RMS= 0.234830E+02

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