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goto CHARMM:;
print "running charmm for iteration $iter with command: ~u0588832/bin/
+charmm < enm.calc.inp > charmm-out-iter-$iter.out\n";
...

rename ("ic-fluc.dat" , "ic-fluc-iter-$iter.dat");
open(IN, "ic-fluc-iter-$iter.dat") || die "could not open internal coo
+rd fluc file.\n";

 if(!(-e "ic-fluc.dat")){
                print "can't find ic-flc.dat at iter $iter. rerunning 
+charmm.\n";
                goto CHARMM;
        }