Hi, I have a question regarding setting parameter values such as force constants in the python version. I'd like to do a minimization of an existing structure (or a water refinement of a structure). How do I start the minimization with the same force constants as a previous annealing run ended with? For example, I can run anneal.py from eginput/gb1. If I then modify anneal.py to read in one of the calculated structures, comment out all of the dyn.run and cool.run statements, prepend FinalParams (rampedParams) to min.run, I get entirely different energies than I would expect from just re-minimizing.
Thanks, David Horita
