Releases: jhenin/qwrap
Releases · jhenin/qwrap
Maintenance release
Code optimization and cleanup.
More convenient building for Linux and MacOS.
Full Changelog: v1.5...v1.6
Revert unwrapping algorithm
Full Changelog: v1.5...v1.6
Fast and accurate wrapping and unwrapping of MD trajectories
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
This release has the same functionality as 1.2 but does more checks to avoid silent or mysterious errors.