How to calculate free energy to unbias colvars restraint?

From: Victoria Lim (limvt_at_uci.edu)
Date: Fri Jul 28 2017 - 18:56:44 CDT

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Dear NAMD users,

I have a molecular dynamics simulation employing a harmonic distance
restraint using the colvars module in NAMD. I am looking for a way to
calculate the free energy of removing the restraint so that I can correct
data from the calculations using the restraint. Is there a way I can
re-evaluate the energies of a stored trajectory with the restraints turned
off?

Thank you!
Ria

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