DOE OSTI · code-40156
ddcMD converter
Abstract
This Python package is developed for converting GROMACS files to ddcMD inputs. The code makes it easier for ddcMD users to convert GROMACS MD simulations into ddcMD. It is used in the MuMMI framework for multiscale MD simulations.
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Glosli, JamesN, Zhang, Xiaohua, Di Natale, Francesco. 2020-06-04. ddcMD converter. https://doi.org/10.11578/dc.20200727.4
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