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Unwrapped coordinates in H5MD format


From: Xin Yuan
Subject: Unwrapped coordinates in H5MD format
Date: Thu, 17 Mar 2022 12:47:40 -0500

Dear ESPResSo users,


I noticed that the coordinates recorded in H5MD format are wrapped inside the simulation box by default. Is there an option to record the unwrapped coordinates in H5MD instead? I didn’t find any relevant information in the documentation. Thanks for any help!

 

Regards,

Xin Yuan


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