possible FAILURE: check mdout.tip5p.dif /amber/amber10/test/tip5p 180,181d179 < EKCMT = 0.2952 VIRIAL = 9.6699 VOLUME = 0.0001 < Density = 0. --------------------------------------- possible FAILURE: check gcg.dip.o.dif /amber/amber10/test/rdc 352c352 < 196 H5'1 DA 7 0.14 0.62 0.96 --- > 196 H5'1 DA 7 0.14 0.63 0.96 377c377 < 512 H5'1 DA 17 0.13 0.62 0.98 --- > 512 H5'1 DA 17 0.13 0.63 0.98 --------------------------------------- possible FAILURE: check first.pdb.dif /amber/amber10/test/ambpdb_first_protein 2147c2147 < HETATM 2145 X BMH G 62 29.312 38.819 37.740 0. 0. 62 N --- > HETATM 2145 X BMH G 62 29.313 38.819 37.740 0. 0. 62 N --------------------------------------- possible FAILURE: check first.pdb.dif /amber/amber10/test/ambpdb_first_rna 2493c2493 < HETATM 2491 X BMH G 8 23.812 6.343 -13.815 0. 0. 8 N --- > HETATM 2491 X BMH G 8 23.813 6.343 -13.815 0. 0. 8 N 2588c2588 < HETATM 2586 X BMH G 39 15.716 26.812 -17.572 0. 0. 39 N --- > HETATM 2586 X BMH G 39 15.716 26.813 -17.572 0. 0. 39 N 2734c2734 < HETATM 2732 X BMH G 88 -20.948 -1.812 -9.912 0. 0. 88 N --- > HETATM 2732 X BMH G 88 -20.948 -1.813 -9.912 0. 0. 88 N --------------------------------------- possible FAILURE: check first.pdb.dif /amber/amber10/test/ambpdb_first_rna 2493c2493 < HETATM 2491 X BMH G 8 23.812 6.343 -13.815 0. 0. 8 N --- > HETATM 2491 X BMH G 8 23.813 6.343 -13.815 0. 0. 8 N 2588c2588 < HETATM 2586 X BMH G 39 15.716 26.812 -17.572 0. 0. 39 N --- > HETATM 2586 X BMH G 39 15.716 26.813 -17.572 0. 0. 39 N 2734c2734 < HETATM 2732 X BMH G 88 -20.948 -1.812 -9.912 0. 0. 88 N --- > HETATM 2732 X BMH G 88 -20.948 -1.813 -9.912 0. 0. 88 N --------------------------------------- possible FAILURE: check first.pdb.dif /amber/amber10/test/ambpdb_first_protein 2147c2147 < HETATM 2145 X BMH G 62 29.312 38.819 37.740 0. 0. 62 N --- > HETATM 2145 X BMH G 62 29.313 38.819 37.740 0. 0. 62 N --------------------------------------- possible FAILURE: check first.pdb.dif /amber/amber10/test/ambpdb_first_protein 2147c2147 < HETATM 2145 X BMH G 62 29.312 38.819 37.740 0. 0. 62 N --- > HETATM 2145 X BMH G 62 29.313 38.819 37.740 0. 0. 62 N ---------------------------------------