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Releases: jhenin/qwrap

Maintenance release

26 Feb 15:44
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Code optimization and cleanup.
More convenient building for Linux and MacOS.

Full Changelog: v1.5...v1.6

Revert unwrapping algorithm

26 Feb 15:42
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Fast and accurate wrapping and unwrapping of MD trajectories

04 Jun 16:17
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Qwrap is a binary plugin for VMD. It provides two scripting commands: qwrap and qunwrap.
Qwrap v1.4 implements accurate long-time unwrapping of NPT trajectories, avoiding common pitfalls reported by von Bülow et al (https://arxiv.org/abs/2003.09205).

Version 1.3

16 Jan 11:59
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This release has the same functionality as 1.2 but does more checks to avoid silent or mysterious errors.