=>> Init data Presuming executables of amber suite to be in /usr/local/amber10/exe =>> Reading input parameters Found PREFIX => hyy_sti Found PATH => ../ Found COMPLEX => 0 Found RECEPTOR => 0 Found LIGAND => 1 Found COMPT => XXX Found RECPT => XXX Found LIGPT => ../STI.top Found GC => 0 Found AS => 0 Found DC => 0 Found MM => 0 Found GB => 0 Found PB => 0 Found MS => 0 Found NM => 1 Found DIELC => 4 Found MAXCYC => 1000 Found DRMS => 0.1 =>> Checking sanity Checking GENERAL Setting START to default 1 Setting STOP to default 10e10 Setting OFFSET to default 1 Setting VERBOSE to default 0 Checking NM =>> Creating input Nmode input =>> Calculating energy / entropy contributions Calc contrib for ../hyy_sti_lig.crd.1 Minimize structure Calc entropy