Will you please kindly tell me what will be the modification if another column is added to the input file? but the output should be the same as the previous one omitting the alphabets? If the input file is

536 ENERGY = -176.2 gag
1 G 0 2 0
2 G 1 3 533
3 G 2 4 532
536 ENERGY = -175.9 gag
1 G 0 2 0
2 G 1 3 533
3 G 2 4 532

I have tried the following but its not working 

   open(MYFILE, $data_file) || die("Could not open file!");


my $energy;
while ( <MYFILE> ) {
    if ( /\bENERGY\b/ ) {
        ++$energy;
        next;
        }
    my ( $key, @fields ) = grep $_, split;
    for my $field ( @fields ) {
    if (@fields[2] ne G || A || C || G)
    {
        print "$key $field $energy\n";
        }
    }
    }

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In reply to Re^3: Structure number by AG87
in thread Structure number by AG87

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