possible FAILURE: check tp.mol2.dif /home/mmaly/_applications/amber/test/antechamber/tp 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 0.016500 16c16 < 10 H29 -0.7870 -0.0430 -0.9380 ha 1 TP 0.134900 > 10 H29 -0.7870 -0.0430 -0.9380 ha 1 TP 0.135200 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 0.132500 ### Maximum absolute error in matching lines = 3.00e-04 at line 16 field 9 ### Maximum relative error in matching lines = 1.21e-02 at line 9 field 9 --------------------------------------- possible FAILURE: check leap.out.dif /home/mmaly/_applications/amber/test/antechamber/sustiva 1,4c1,4 < -I: Adding dat/leap/prep to search path. < -I: Adding dat/leap/lib to search path. < -I: Adding dat/leap/parm to search path. < -I: Adding dat/leap/cmd to search path. --- > -I: Adding /home/mmaly/_applications/amber/dat/leap/prep to search path. > -I: Adding /home/mmaly/_applications/amber/dat/leap/lib to search path. > -I: Adding /home/mmaly/_applications/amber/dat/leap/parm to search path. > -I: Adding /home/mmaly/_applications/amber/dat/leap/cmd to search path. 9,10c9,10 < ----- Source: dat/leap/cmd/leaprc.gaff < ----- Source of dat/leap/cmd/leaprc.gaff done --- > ----- Source: /home/mmaly/_applications/amber/dat/leap/cmd/leaprc.gaff > ----- Source of /home/mmaly/_applications/amber/dat/leap/cmd/leaprc.gaff done 12c12 < Loading parameters: dat/leap/parm/gaff.dat --- > Loading parameters: /home/mmaly/_applications/amber/dat/leap/parm/gaff.dat ---------------------------------------