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 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