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ISISNeutronMuon / MDANSE

MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments
https://www.isis.stfc.ac.uk/Pages/MDANSEproject.aspx
GNU General Public License v3.0
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NAMD and CHARMM conversion fixes #348

Closed ChiCheng45 closed 5 months ago

ChiCheng45 commented 5 months ago

Description of work Fixed the NAMD and CHARMM trajectory conversion fixes. Fixed MDT file loading issues with molecule chemical entities.

Fixes Closes #314 Closes #315

To test Convert NAMD and CHARMM trajectories from the MDANSE-Examples and load their MDT files.