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Add a couple unittests for CHARMM files. Good thing, too, because they helped  
Jason Swails committed
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PSF CMAP

       6 !NTITLE
 REMARKS original generated structure x-plor psf file
 REMARKS 2 patches were applied to the molecule.
 REMARKS topology ala_ala_ala_autopsf-temp.top 
 REMARKS segment P1 { first NTER; last CTER; auto angles dihedrals }
 REMARKS patch NTER P1:1  
 REMARKS patch CTER P1:3  

      33 !NATOM
       1 P1   1    ALA  N    NH3   -0.300000       14.0070           0
       2 P1   1    ALA  HT1  HC     0.330000        1.0080           0
       3 P1   1    ALA  HT2  HC     0.330000        1.0080           0
       4 P1   1    ALA  HT3  HC     0.330000        1.0080           0
       5 P1   1    ALA  CA   CT1    0.210000       12.0110           0
       6 P1   1    ALA  HA   HB     0.100000        1.0080           0
       7 P1   1    ALA  CB   CT3   -0.270000       12.0110           0
       8 P1   1    ALA  HB1  HA     0.090000        1.0080           0
       9 P1   1    ALA  HB2  HA     0.090000        1.0080           0
      10 P1   1    ALA  HB3  HA     0.090000        1.0080           0
      11 P1   1    ALA  C    C      0.510000       12.0110           0
      12 P1   1    ALA  O    O     -0.510000       15.9990           0
      13 P1   2    ALA  N    NH1   -0.470000       14.0070           0
      14 P1   2    ALA  HN   H      0.310000        1.0080           0
      15 P1   2    ALA  CA   CT1    0.070000       12.0110           0
      16 P1   2    ALA  HA   HB     0.090000        1.0080           0
      17 P1   2    ALA  CB   CT3   -0.270000       12.0110           0
      18 P1   2    ALA  HB1  HA     0.090000        1.0080           0
      19 P1   2    ALA  HB2  HA     0.090000        1.0080           0
      20 P1   2    ALA  HB3  HA     0.090000        1.0080           0
      21 P1   2    ALA  C    C      0.510000       12.0110           0
      22 P1   2    ALA  O    O     -0.510000       15.9990           0
      23 P1   3    ALA  C    CC     0.340000       12.0110           0
      24 P1   3    ALA  OT1  OC    -0.670000       15.9990           0
      25 P1   3    ALA  OT2  OC    -0.670000       15.9990           0
      26 P1   3    ALA  N    NH1   -0.470000       14.0070           0
      27 P1   3    ALA  HN   H      0.310000        1.0080           0
      28 P1   3    ALA  CA   CT1    0.070000       12.0110           0
      29 P1   3    ALA  HA   HB     0.090000        1.0080           0
      30 P1   3    ALA  CB   CT3   -0.270000       12.0110           0
      31 P1   3    ALA  HB1  HA     0.090000        1.0080           0
      32 P1   3    ALA  HB2  HA     0.090000        1.0080           0
      33 P1   3    ALA  HB3  HA     0.090000        1.0080           0

      32 !NBOND: bonds
       1       5       2       1       3       1       4       1
       5       6       7       5       7       8       7       9
       7      10      11       5      11      13      12      11
      13      14      13      15      15      16      17      15
      17      18      17      19      17      20      21      15
      21      26      22      21      23      25      23      24
      23      28      26      27      26      28      28      29
      30      28      30      31      30      32      30      33

      57 !NTHETA: angles
       1       5       6       1       5      11       2       1       5
       2       1       4       2       1       3       3       1       5
       3       1       4       4       1       5       5      11      12
       5      11      13       5       7      10       5       7       9
       5       7       8       7       5       6       7       5      11
       7       5       1       8       7      10       8       7       9
       9       7      10      11       5       6      13      15      16
      13      15      21      13      11      12      14      13      11
      14      13      15      15      21      22      15      21      26
      15      17      20      15      17      19      15      17      18
      15      13      11      17      15      16      17      15      21
      17      15      13      18      17      20      18      17      19
      19      17      20      21      15      16      23      28      29
      24      23      28      25      23      28      25      23      24
      26      28      29      26      28      23      26      21      22
      27      26      21      27      26      28      28      30      33
      28      30      32      28      30      31      28      26      21
      30      28      29      30      28      23      30      28      26
      31      30      33      31      30      32      32      30      33

      74 !NPHI: dihedrals
       1       5       7       8       1       5       7       9
       1       5       7      10       1       5      11      13
       1       5      11      12       2       1       5       7
       2       1       5      11       2       1       5       6
       3       1       5       7       3       1       5      11
       3       1       5       6       4       1       5       7
       4       1       5      11       4       1       5       6
       5      11      13      14       5      11      13      15
       6       5       7       8       6       5       7       9
       6       5       7      10       6       5      11      13
       6       5      11      12       7       5      11      13
       7       5      11      12       8       7       5      11
       9       7       5      11      10       7       5      11
      11      13      15      17      11      13      15      21
      11      13      15      16      12      11      13      14
      12      11      13      15      13      15      17      18
      13      15      17      19      13      15      17      20
      13      15      21      26      13      15      21      22
      14      13      15      17      14      13      15      21
      14      13      15      16      15      21      26      27
      15      21      26      28      16      15      17      18
      16      15      17      19      16      15      17      20
      16      15      21      26      16      15      21      22
      17      15      21      26      17      15      21      22
      18      17      15      21      19      17      15      21
      20      17      15      21      21      26      28      30
      21      26      28      23      21      26      28      29
      22      21      26      27      22      21      26      28
      23      28      30      31      23      28      30      32
      23      28      30      33      23      28      26      27
      24      23      28      30      24      23      28      26
      24      23      28      29      25      23      28      30
      25      23      28      26      25      23      28      29
      26      28      30      31      26      28      30      32
      26      28      30      33      27      26      28      30
      27      26      28      29      29      28      30      31
      29      28      30      32      29      28      30      33

       5 !NIMPHI: impropers
      11       5      13      12      13      11      15      14
      21      15      26      22      23      28      25      24
      26      21      28      27

       0 !NDON: donors


       0 !NACC: acceptors


       0 !NNB

       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0
       0

       1       0 !NGRP
       0       0       0

       1 !NCRTERM: cross-terms
      11      13      15      21      13      15      21      26