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Published February 20, 2018 | Version version-1.2.0
Software Open

bio-phys/MDBenchmark: Release 1.2.0

Creators

  • 1. MPI of Biophysics

Description

Features

  • GROMACS .tpr files can now be referenced with and without the file extension. (#32)
  • Added Makefile to project. (#36)
Bugfixes
  • fixed crash during analyze, if some simulations have not started/finished yet. (#26)
  • Suppress FutureWarning caused by h5py. (#35)
Misc
  • Updated docstrings and console output of generate, submit and analyze functions. (#36)
  • Added more unit tests. (#36)

Files

bio-phys/MDBenchmark-version-1.2.0.zip

Files (109.0 kB)

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md5:1e0b14333fb353f05417c0b4d7f280a5
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Additional details

Related works

Is supplement to
https://github.com/bio-phys/MDBenchmark/tree/version-1.2.0 (URL)