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Setting positions from PLUMED

Open GiovanniBussi opened this issue 7 years ago • 0 comments

We might consider allowing PLUMED to reset the positions stored in the MD code. Notice that:

  • The MD code should be made aware of the change, so as to recompute neighbor lists etc
  • Only "GROMACS-like" implementations, where all atoms are shared with PLUMED, could work. For "NAMD-like" implementations, where only requested atoms are passed, it might be more difficult.

I am interested in working on it, but it's low priority now.

GiovanniBussi avatar Mar 05 '18 10:03 GiovanniBussi