 RESP-A1 project. RESP input generated by R.E.D.
 &cntrl
  ioutopt=1, iqopt=1, nmol=4, ihfree=1, irstrnt=1, qwt= 0.0005 
 &end 
  1.0
 Dimethylalanine-dipeptide 
    0   25          Column not used by RESP (Added by R.E.D. for information)
    6    0                         1
    1    0                         2
    1    0                         3
    1    0                         4
    6    0                         5
    8    0                         6
    7    0                         7
    1    0                         8
    6    0                         9
    6    0                        10
    1    0                        11
    1    0                        12
    1    0                        13
    6    0                        14
    1    0                        15
    1    0                        16
    1    0                        17
    6    0                        18
    8    0                        19
    7    0                        20
    1    0                        21
    6    0                        22
    1    0                        23
    1    0                        24
    1    0                        25

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

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

  1.0
 Dimethylalanine-dipeptide 
    0   25
    6    0                         1
    1    0                         2
    1    0                         3
    1    0                         4
    6    0                         5
    8    0                         6
    7    0                         7
    1    0                         8
    6    0                         9
    6    0                        10
    1    0                        11
    1    0                        12
    1    0                        13
    6    0                        14
    1    0                        15
    1    0                        16
    1    0                        17
    6    0                        18
    8    0                        19
    7    0                        20
    1    0                        21
    6    0                        22
    1    0                        23
    1    0                        24
    1    0                        25
                    Intra and/or inter-molecular charge restraints for atom or group of atoms
    6  0.000000
    1    1    1    2    1    3    1    4    1    5    1    6
    6  0.000000
    1   20    1   21    1   22    1   23    1   24    1   25
    1 -0.415700
    1    7
    1  0.271900
    1    8
    1  0.597300
    1   18
    1 -0.567900
    1   19
                    Inter-'molecular' charge equivalencing (i.e. for orientations, conformations or different molecules)
    4
    1    1    2    1    3    1    4    1
    4
    1    2    2    2    3    2    4    2
    4
    1    3    2    3    3    3    4    3
    4
    1    4    2    4    3    4    4    4
    4
    1    5    2    5    3    5    4    5
    4
    1    6    2    6    3    6    4    6
    4
    1    7    2    7    3    7    4    7
    4
    1    8    2    8    3    8    4    8
    4
    1    9    2    9    3    9    4    9
    4
    1   10    2   10    3   10    4   10
    4
    1   11    2   11    3   11    4   11
    4
    1   12    2   12    3   12    4   12
    4
    1   13    2   13    3   13    4   13
    4
    1   14    2   14    3   14    4   14
    4
    1   15    2   15    3   15    4   15
    4
    1   16    2   16    3   16    4   16
    4
    1   17    2   17    3   17    4   17
    4
    1   18    2   18    3   18    4   18
    4
    1   19    2   19    3   19    4   19
    4
    1   20    2   20    3   20    4   20
    4
    1   21    2   21    3   21    4   21
    4
    1   22    2   22    3   22    4   22
    4
    1   23    2   23    3   23    4   23
    4
    1   24    2   24    3   24    4   24
    4
    1   25    2   25    3   25    4   25






