 RESP-A1 project. RESP input generated by R.E.D.
 &cntrl
  ioutopt=1, iqopt=2, nmol=8, ihfree=1, irstrnt=1, qwt= 0.001 
 &end 
  1.0
 Dimethylalanine-dipeptide 
    0   25          Column not used by RESP (Added by R.E.D. for information)
    6   -1                         1
    1   -1                         2
    1   -1                         3
    1   -1                         4
    6   -1                         5
    8   -1                         6
    7   -1                         7
    1   -1                         8
    6   -1                         9
    6    0                        10
    1    0                        11
    1   11                        12
    1   11                        13
    6   10                        14
    1   11                        15
    1   11                        16
    1   11                        17
    6   -1                        18
    8   -1                        19
    7   -1                        20
    1   -1                        21
    6   -1                        22
    1   -1                        23
    1   -1                        24
    1   -1                        25

  1.0
 Dimethylalanine-dipeptide 
    0   25
    6   -1                         1
    1   -1                         2
    1   -1                         3
    1   -1                         4
    6   -1                         5
    8   -1                         6
    7   -1                         7
    1   -1                         8
    6   -1                         9
    6    0                        10
    1    0                        11
    1   11                        12
    1   11                        13
    6   10                        14
    1   11                        15
    1   11                        16
    1   11                        17
    6   -1                        18
    8   -1                        19
    7   -1                        20
    1   -1                        21
    6   -1                        22
    1   -1                        23
    1   -1                        24
    1   -1                        25

  1.0
 Dimethylalanine-dipeptide 
    0   25
    6   -1                         1
    1   -1                         2
    1   -1                         3
    1   -1                         4
    6   -1                         5
    8   -1                         6
    7   -1                         7
    1   -1                         8
    6   -1                         9
    6    0                        10
    1    0                        11
    1   11                        12
    1   11                        13
    6   10                        14
    1   11                        15
    1   11                        16
    1   11                        17
    6   -1                        18
    8   -1                        19
    7   -1                        20
    1   -1                        21
    6   -1                        22
    1   -1                        23
    1   -1                        24
    1   -1                        25

  1.0
 Dimethylalanine-dipeptide 
    0   25
    6   -1                         1
    1   -1                         2
    1   -1                         3
    1   -1                         4
    6   -1                         5
    8   -1                         6
    7   -1                         7
    1   -1                         8
    6   -1                         9
    6    0                        10
    1    0                        11
    1   11                        12
    1   11                        13
    6   10                        14
    1   11                        15
    1   11                        16
    1   11                        17
    6   -1                        18
    8   -1                        19
    7   -1                        20
    1   -1                        21
    6   -1                        22
    1   -1                        23
    1   -1                        24
    1   -1                        25

  1.0
 Dimethylalanine-dipeptide 
    0   25
    6   -1                         1
    1   -1                         2
    1   -1                         3
    1   -1                         4
    6   -1                         5
    8   -1                         6
    7   -1                         7
    1   -1                         8
    6   -1                         9
    6    0                        10
    1    0                        11
    1   11                        12
    1   11                        13
    6   10                        14
    1   11                        15
    1   11                        16
    1   11                        17
    6   -1                        18
    8   -1                        19
    7   -1                        20
    1   -1                        21
    6   -1                        22
    1   -1                        23
    1   -1                        24
    1   -1                        25

  1.0
 Dimethylalanine-dipeptide 
    0   25
    6   -1                         1
    1   -1                         2
    1   -1                         3
    1   -1                         4
    6   -1                         5
    8   -1                         6
    7   -1                         7
    1   -1                         8
    6   -1                         9
    6    0                        10
    1    0                        11
    1   11                        12
    1   11                        13
    6   10                        14
    1   11                        15
    1   11                        16
    1   11                        17
    6   -1                        18
    8   -1                        19
    7   -1                        20
    1   -1                        21
    6   -1                        22
    1   -1                        23
    1   -1                        24
    1   -1                        25

  1.0
 Dimethylalanine-dipeptide 
    0   25
    6   -1                         1
    1   -1                         2
    1   -1                         3
    1   -1                         4
    6   -1                         5
    8   -1                         6
    7   -1                         7
    1   -1                         8
    6   -1                         9
    6    0                        10
    1    0                        11
    1   11                        12
    1   11                        13
    6   10                        14
    1   11                        15
    1   11                        16
    1   11                        17
    6   -1                        18
    8   -1                        19
    7   -1                        20
    1   -1                        21
    6   -1                        22
    1   -1                        23
    1   -1                        24
    1   -1                        25

  1.0
 Dimethylalanine-dipeptide 
    0   25
    6   -1                         1
    1   -1                         2
    1   -1                         3
    1   -1                         4
    6   -1                         5
    8   -1                         6
    7   -1                         7
    1   -1                         8
    6   -1                         9
    6    0                        10
    1    0                        11
    1   11                        12
    1   11                        13
    6   10                        14
    1   11                        15
    1   11                        16
    1   11                        17
    6   -1                        18
    8   -1                        19
    7   -1                        20
    1   -1                        21
    6   -1                        22
    1   -1                        23
    1   -1                        24
    1   -1                        25

                    Inter-'molecular' charge equivalencing (i.e. for orientations, conformations or different molecules)
    8
    1   10    2   10    3   10    4   10    5   10    6   10    7   10    8   10
    8
    1   11    2   11    3   11    4   11    5   11    6   11    7   11    8   11






