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interaction_energy_of_ligand_in_charmm
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| interaction_energy_of_ligand_in_charmm [2022/01/12 10:01] – edit | interaction_energy_of_ligand_in_charmm [2022/01/12 10:17] (current) – edit | ||
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| This is a tutorial on how to calculate the interaction energy and it is worth noting that there was help from other sources such as a template code on the Charmm source codes website by Lennart Nilsson. | This is a tutorial on how to calculate the interaction energy and it is worth noting that there was help from other sources such as a template code on the Charmm source codes website by Lennart Nilsson. | ||
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| Begin by downloading the source files {{ : | Begin by downloading the source files {{ : | ||
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| inte sele segid CARA .and. resid @id end sele segid PROA .or. segid PROB end | inte sele segid CARA .and. resid @id end sele segid PROA .or. segid PROB end | ||
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| + | Author: Shyam Patel | ||
| - Download {{ : | - Download {{ : | ||
interaction_energy_of_ligand_in_charmm.1641999662.txt.gz · Last modified: 2022/01/12 10:01 by edit