software . 2020

Akohlmey/Topotools: Release 1.7

Kohlmeyer, Axel; Vermaas, Josh; Braun, Efrem;
Open Source
  • Published: 25 May 2020
  • Publisher: Zenodo
Abstract
<p>TopoTools version 1.7 was released with VMD 1.9.3 and contains the following changes:</p> <ul> <li>better error handling in several places</li> <li>print out a reminder with DOIs for how to cite TopoTools and TopoGromacs when used for the first time</li> <li>auto-detection of atom styles for reading LAMMPS data files with style hints</li> <li>support for incompatible atoms styles <code>dpd</code> and <code>hybrid</code> is removed and support for <code>sphere</code> added</li> <li>bugfix for logic bug in detecting Nickel atoms from their mass</li> <li>add several missing sub-command references for sorting lists of angles, dihedrals and impropers</li> </ul>
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