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This version contains following bugfixes.

  • (spdyn) Fix constraints on minimization
  • (atdyn) Fix dispersion correction for AMBER FF
  • (atdyn/spdyn) Fix memory allocation bug in off-grid REUS (if # of restraints in off-grid REUS > # of replicas)
  • (general) extend maximum characters per line in control file (for recent CHARMM-GUI)

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Updated:

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