[localhost:/opt/AmberTools/test] mjhsieh% echo $AMBERHOME /opt/AmberTools [localhost:/opt/AmberTools/test] mjhsieh% uname -asr Darwin localhost. 10.2.0 Darwin Kernel Version 10.2.0: Tue Nov 3 10:37:10 PST 2009; root:xnu-1486.2.11~1/RELEASE_I386 i386 [localhost:/opt/AmberTools/test] mjhsieh% cd antechamber/sustiva&&./Run.sustiva diffing sustiva.mol2.save with sustiva.mol2 PASSED ============================================================== diffing frcmod.save with frcmod PASSED ============================================================== diffing leap.out.save with leap.out possible FAILURE: check leap.out.dif ============================================================== [localhost:test/antechamber/sustiva] mjhsieh% cat leap.out.dif 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 /opt/AmberTools/dat/leap/prep to search path. > -I: Adding /opt/AmberTools/dat/leap/lib to search path. > -I: Adding /opt/AmberTools/dat/leap/parm to search path. > -I: Adding /opt/AmberTools/dat/leap/cmd to search path. 9,10c9,10 < ----- Source: dat/leap/cmd/leaprc.gaff < ----- Source of dat/leap/cmd/leaprc.gaff done --- > ----- Source: /opt/AmberTools/dat/leap/cmd/leaprc.gaff > ----- Source of /opt/AmberTools/dat/leap/cmd/leaprc.gaff done 12c12 < Loading parameters: dat/leap/parm/gaff.dat --- > Loading parameters: /opt/AmberTools/dat/leap/parm/gaff.dat