=>> Init data Presuming executables of amber suite to be in /usr/local/amber9/exe =>> Reading input parameters Found PREFIX => alascan Found PATH => ./ Found COMPLEX => 1 Found RECEPTOR => 1 Found LIGAND => 1 Found COMPT => ../../pdz1/complex/DSLL/complex_dsl1_nowat.prmtop Found RECPT => ../../pdz1/protein/1gq4.prmtop Found LIGPT => ../../pdz1/ligand/DSLL.prmtop Found GC => 1 Found AS => 1 Found DC => 0 Found MM => 0 Found GB => 0 Found PB => 0 Found MS => 0 Found NM => 0 Found BOX => YES Found NTOTAL => 11037 Found NSTART => 1 Found NSTOP => 2500 Found NFREQ => 25 Found NUMBER_LIG_GROUPS => 1 Found LSTART => 1 Found LSTOP => 64 Found NUMBER_REC_GROUPS => 1 Found RSTART => 65 Found RSTOP => 1385 Found NUMBER_MUTANT_GROUPS => 4 Found MUTANT_ATOM1 => 6 Found MUTANT_ATOM2 => 0 Found MUTANT_KEEP => 3 Found MUTANT_REFERENCE => 5 Found MUTANT_ATOM1 => 20 Found MUTANT_ATOM2 => 0 Found MUTANT_KEEP => 17 Found MUTANT_REFERENCE => 19 Found MUTANT_ATOM1 => 31 Found MUTANT_ATOM2 => 0 Found MUTANT_KEEP => 28 Found MUTANT_REFERENCE => 30 Found MUTANT_ATOM1 => 50 Found MUTANT_ATOM2 => 0 Found NUTANT_KEEP => 47 Found MUTANT_REFERENCE => 49 Found TRAJECTORY => ../complex_dsll_5ns.mdcrd =>> Checking sanity Checking GENERAL Checking GC Checking AS Checking TRAJ =>> Creating input make_crd input