Name "main::nmodeout" used only once: possible typo at /home/atuncel/Desktop/amber8/exe/mm_pbsa.pl line 20. Use of uninitialized value in unlink at /home/atuncel/Desktop/amber8/exe/mm_pbsa.pl line 20. =>> Init data Presuming executables of amber suite to be in /home/atuncel/Desktop/amber8/exe =>> Reading input parameters Found PREFIX => ll Found PATH => ../snapshots Found COMPLEX => 1 Found RECEPTOR => 1 Found LIGAND => 1 Found COMPT => ../../common/lligb2.prmtop Found RECPT => ../../common/llchainAigb2.prmtop Found LIGPT => ../../common/llchainBigb2.prmtop Found GC => 0 Found AS => 0 Found DC => 1 Found MM => 1 Found GB => 1 Found PB => 0 Found MS => 0 Found NM => 0 Found DCTYPE => 2 Found COMREC => 37-40 76-77 80-80 83-84 285-290 293-298 301-325 328-328 330-330 332-332 338-338 341-342 344-344 347-347 361-367 Found COMLIG => 478-481 516-516 519-521 523-525 726-731 734-739 741-767 769-769 771-772 783-783 785-785 803-808 810-810 Found COMPRI => 37-40 76-77 80-80 83-84 285-290 293-298 301-325 328-328 330-330 332-332 338-338 341-342 344-344 347-347 361-367 478-481 516-516 519-521 523-525 726-731 734-739 741-767 769-769 771-772 783-783 785-785 803-808 810-810 Found RECRES => 37-40 76-77 80-80 83-84 285-290 293-298 301-325 328-328 330-330 332-332 338-338 341-342 344-344 347-347 361-367 Found RECPRI => 37-40 76-77 80-80 83-84 285-290 293-298 301-325 328-328 330-330 332-332 338-338 341-342 344-344 347-347 361-367 Found RECMAP => 37-40 76-77 80-80 83-84 285-290 293-298 301-325 328-328 330-330 332-332 338-338 341-342 344-344 347-347 361-367 Found LIGRES => 37-40 75-75 78-80 82-84 285-290 293-298 300-326 328-328 330-331 342-342 344-344 362-367 369-369 Found LIGPRI => 37-40 75-75 78-80 82-84 285-290 293-298 300-326 328-328 330-331 342-342 344-344 362-367 369-369 Found LIGMAP => 478-481 516-516 519-521 523-525 726-731 734-739 741-767 769-769 771-772 783-783 785-785 803-808 810-810 Found DIELC => 1.0 Found IGB => 2 Found GBSA => 2 Found SALTCON => 0.00 Found EXTDIEL => 80.0 Found INTDIEL => 1.0 Found SURFTEN => 0.005 Found SURFOFF => 0.00 =>> Checking sanity Checking GENERAL 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Values of global variables TEMP = 300 R = 8.314 gammaP = 0.00542 betaP = 0.92 gammaG = 0.005 betaG = 0.00 =>> Reading input =>> Reordering files Final order: 1. ll_com.all.out: 37 - 40 76 - 77 80 - 80 83 - 84 285 - 290 293 - 298 301 - 325 328 - 328 330 - 330 332 - 332 338 - 338 341 - 342 344 - 344 347 - 347 361 - 367 478 - 481 516 - 516 519 - 521 523 - 525 726 - 731 734 - 739 741 - 767 769 - 769 771 - 772 783 - 783 785 - 785 803 - 808 810 - 810 2. ll_rec.all.out: 37 - 40 76 - 77 80 - 80 83 - 84 285 - 290 293 - 298 301 - 325 328 - 328 330 - 330 332 - 332 338 - 338 341 - 342 344 - 344 347 - 347 361 - 367 3. ll_lig.all.out: 478 - 481 516 - 516 519 - 521 523 - 525 726 - 731 734 - 739 741 - 767 769 - 769 771 - 772 783 - 783 785 - 785 803 - 808 810 - 810 =>> Reading files Reading ll_com.all.out Missing BELE for MM in 1 (residue 47)