A couple of questions I hope someone can answer.
1) Is the constraint force output in the .pdo file the same as the
Lagrange multiplier? If not, how are these related?
2) Should this method work in parallel as long as the pulled and
reference groups are on the same processor? I am trying to study a
conformational change of a protein, so the pulled and reference group
are part of the protein. The entire protein is on 1 processor, but
there is still an error when I try to run in parallel.
Thanks,
Brian Novak
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