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The changes made from v.5.0 to 5.1:
- A module to perform path integral - molecular dynamics simulations is included
- An option for separate barostats in XY-plane and Z-axis
- Correction of a bug in anisotropic constant pressure calculations for rigid
molecular models
- Internal reorganization of data structures: arrays for non-bonded
interaction types
- Additional utilities and trajectory analysis suite (tranal)
Alexander Lyubartsev
2008-06-12