Published September 12, 2025
| Version v1.0_1
Software
Open
pbacova/PCL_Supplementary_material_systematic_CG: PCL in vacuum and in water
Authors/Creators
Description
Molecular Dynamics Simulations of poly(caprolactone) chains of multiple molecular weights in vacuum and in water. The L-OPLS force field was used and the files are in Gromacs format. Detailed description of the preparation procedure and the simulation details is included in added supp_info.pdf file (missing in v1.0).
Files
pbacova/PCL_Supplementary_material_systematic_CG-v1.0_1.zip
Files
(161.1 MB)
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md5:779d63366ab574f0b5b20d185cb68873
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Additional details
Related works
- Is supplement to
- Software: https://github.com/pbacova/PCL_Supplementary_material_systematic_CG/tree/v1.0_1 (URL)