NOTES and REFS

Posted 2020-10-19Updated 2025-11-24Notes / Tools4 minutes read (About 559 words)

本文为初次使用TAO运行ONIOM计算的杂记

A toolkit to assist ONIOM calculations
https://doi.org/10.1002/jcc.21524
http://chem.wayne.edu/schlegel/Software/oniomtoolTAO/TAOtutorial.html

Posted 2020-09-14Updated 2025-11-24Notes / Tools15 minutes read (About 2184 words)

Progdyn2017的部署与使用

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Posted 2020-09-04Updated 2025-11-24Notes / Tools / Support File13 minutes read (About 1880 words)

Fixed Thread

Form http://archive.ambermd.org/201209/0203.html

Posted 2020-09-04Updated 2025-11-24Notes / Toolsa minute read (About 156 words)

Point Mutation - residue swap

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Posted 2020-08-26Updated 2025-11-24Notes / personal2 minutes read (About 356 words)

梦20200826

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Posted 2020-07-24Updated 2025-11-24Notes / personal6 minutes read (About 890 words)

动力与设想

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Posted 2020-07-18Updated 2025-11-24Notes / Tools3 minutes read (About 425 words)

GSM on hoffman2

Reference:

wiki from the developer (https://github.com/ZimmermanGroup/molecularGSM/wiki)

Tiptorial form Tyler Benton (On Hof2: /u/project/houk/tylerben/shared/GSM/readme.txt)

Tutorial from the Zimmerman Group (https://sites.lsa.umich.edu/zimmerman-lab/tutorial/surface-growing-string-method/)

Personal notes on using GSM with different software on hoffman2.