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bharurn / mimicpy

Python based tools for preparing MiMiC QM/MM simulations
GNU General Public License v3.0
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Change MPT format to XDR #20

Closed bharurn closed 4 years ago

bharurn commented 4 years ago

Currently MPT uses the python pickle format. The problem with this is that it is not portable between different versions of python, and has problems with custom classes. So, the MPT format should be changed to use XDR which is the same format TRR and TPR files are stored in.