possible FAILURE: check divcon.out.dif /usr/local/AMBER/amber10/test/water2_qmmmnmr 51c51 < 1 O -0.00554 1.52120 0. --- > 1 O -0.00554 1.52120 0. RES --------------------------------------- possible FAILURE: check tp.mol2.dif /usr/local/AMBER/amber10/test/antechamber/tp 7c7 < 1 CG -1.9590 0.1020 0.7950 ca 1 TP -0.118900 > 1 CG -1.9590 0.1020 0.7950 ca 1 TP -0.118500 8c8 < 2 CD1 -1.2490 0.6020 -0.3030 ca 1 TP -0.113400 > 2 CD1 -1.2490 0.6020 -0.3030 ca 1 TP -0.113700 9c9 < 3 CD2 -2.0710 0.8650 1.9630 ca 1 TP 0.016700 > 3 CD2 -2.0710 0.8650 1.9630 ca 1 TP 0.016300 11c11 < 5 C6 -1.4720 2.1290 2.0310 ca 1 TP -0.145000 > 5 C6 -1.4720 2.1290 2.0310 ca 1 TP -0.145200 12c12 < 6 CZ -0.7590 2.6270 0.9340 ca 1 TP -0.112500 > 6 CZ -0.7590 2.6270 0.9340 ca 1 TP -0.112300 13c13 < 7 HE2 -1.5580 2.7190 2.9310 ha 1 TP 0.130300 > 7 HE2 -1.5580 2.7190 2.9310 ha 1 TP 0.129600 14c14 < 8 S15 -2.7820 0.3650 3.0600 sh 1 TP -0.254900 > 8 S15 -2.7820 0.3650 3.0600 sh 1 TP -0.254400 17c17 < 11 H30 0.3730 2.0450 -0.7840 ha 1 TP 0.133600 > 11 H30 0.3730 2.0450 -0.7840 ha 1 TP 0.133400 18c18 < 12 H31 -0.0920 3.5780 0.7810 ha 1 TP 0.132700 > 12 H31 -0.0920 3.5780 0.7810 ha 1 TP 0.133200 19c19 < 13 H32 -2.3790 -0.9160 0.9010 ha 1 TP 0.142800 > 13 H32 -2.3790 -0.9160 0.9010 ha 1 TP 0.143000 ### Maximum absolute error in matching lines = 7.00e-04 at line 13 field 9 ### Maximum relative error in matching lines = 2.45e-02 at line 9 field 9 --------------------------------------- possible FAILURE: check DGN.mol2.dif /usr/local/AMBER/amber10/test/antechamber/guanine_amber 21c21 < 15 C5 2.6670 -2.8850 3.7000 CB 1 DGN 0.176300 > 15 C5 2.6670 -2.8850 3.7000 CB 1 DGN 0.174000 ### Maximum absolute error in matching lines = 2.30e-03 at line 21 field 9 ### Maximum relative error in matching lines = 1.32e-02 at line 21 field 9 ---------------------------------------