[gmx-developers] Gromacs developer resources - checkpointing

Matthew Alexandrakis m.alexandrakis at qmul.ac.uk
Thu Mar 19 17:32:14 CET 2020

Hello everyone,

I am a Research Software Engineer at Queen Mary Univ. of London. I'm trying to help a PhD researcher to fix the checkpointing system of Gromacs. The PhD has extended stock Gromacs 2016.4 with additional containers that would have to be added to the checkpointing.

I would like to ask if there are any low-level developer resources or documentation that delve more deeply on the subject of checkpointing? Already available resources I found online just explain the usage of checkpointing on a very high level.


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