Published February 28, 2023 | Version v1
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Shape Based Coarse Graining 2 (SBCG2) code and example files

  • 1. University of Delaware

Description

VMD plugin code for the new shape based coarse graining 2 (SBCG2) methodology. Included is a diff that shows the changes between new SBCG2 and legacy SBCG, as well as the SBCG2 code itself. Additionally, there is a directory of examples that demonstrates various aspects of the new code, and includes input and example output data to aid usage. There is a README top level in the zip that explains each directory, its contents, and how to run examples.

Files

natcomms_code_and_example_files.zip

Files (3.5 GB)

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