Awk
awk
basic syntax
A typical AWK command looks like this:
awk 'pattern { action }' filename
- pattern: The condition that each line (or record) is tested against. Examples include matching text, line numbers, or expressions.[^2][^4][^5]
- { action }: Actions to perform on each line that matches the pattern. These are enclosed in curly braces
{...}and can include printing columns, doing math, or assigning variables. - filename: The text file or input stream being processed.
If no pattern is specified, the action applies to every line.
Special blocks:
- END { … }: Runs only once, after all lines have been processed. Commonly used for post-processing tasks, like printing totals or averages.[^7]
- BEGIN { … }: Runs once before any lines are processed, often used for initializing variables.
my usage examples
finding the average of a particular column in the OpenMM output file
awk 'NR>10000 {sum += \$6; count++} END {if (count > 0) print sum/count}' prod_out.txt
explanation via 
NR > 10000: filters lines by line number.NRis AWK’s built-in variable, representing the current line number. this block applies the following logic only for lines after line 10,000.{sum += $6; count++}: accumulates the sum and count.sum += $6: adds the value in the 6th column of the current line to the running totalsum.count++: incrementscountfor each line processed after line 10,000.END {if (count > 0) print sum/count}: calculates and prints the average. theENDblock is executed after all lines have been processed.if (count > 0): Prevents division by zero if no lines matched.print sum/count: Calculates and prints the average of the 6th column values from lines after 10,000.prod_out.txt: is the input file name that will be read by awk line by line
summary: The command skips the first 10,000 lines, then computes the average of the values in the 6th column over all following lines in prod_out.txt. This is often used for analyzing simulation or production logs, where only a subset of data is relevant for statistics.