[gmx-users] Free energy change with harmonic restraints

Natalie Nguyen nguyenn at wittenberg.edu
Wed Jul 8 16:13:24 CEST 2015

Dear all,

I am trying to measure the free energy change associated with adding/removing harmonic restraints imposed on a ligand that is attached to a protein. Is there any way to set this up?

Thank you ahead of time!

Natalie Nguyen

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