Hello, I simulated system surface+polymer. I created perl script in order to calculate average interaction energy (from the proper part of the MD trajectory) i.e.
script which automatically decomposes each MD frame on the individual components, puts them into study table, calculates the energies. 
Since the simulation was done with constrained surface atoms I need for each frame energy analysis to be able remove this constraint.
Is there any possibility how to do this in perl script ?

Thank you in advance for your advices,

     Best wishes,

             Marek