This pipeline is executing a RE-EDS run for relative free energy calculations. It can be used for example for calculation of hydration free energies or ligand binding free energies.
Made minor changes to the code to be able to use position restraints besides distance restraints. The use of distance restraints shouldn't be affected.
Description
Made minor changes to the code to be able to use position restraints besides distance restraints. The use of distance restraints shouldn't be affected.