Dear Gromacs users: I am trying to extract the constraint energy imposed by position restraint. I extract the coordinate of the restraint atom and want to calculated directly by using the harmonic potential. The question is : Does the reference position come from the .gro file as the input in mdrun? It seems to me that that's the only possible source as I didn't specify it anywhere.
Thanks, -- Kun Huang Department of Physics, Rensselaer Polytechnic Institute. Troy, NY. 12180.
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