Computational Chemistry 2.8 - MM Out-of-Plane Terms

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TMP Chem

TMP Chem

7 жыл бұрын

Short lecture on out of plane energy terms in molecular mechanics.
For each out of plane angle in molecular mechanics, the energy terms is half the rotation barrier times 1 plus the cosine of 2 times the out of plane angle minus 180 degrees. Each out of plane angle requires only one empirical parameter.
Notes Slide: i.imgur.com/cKTnCA5.png
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Пікірлер: 4
@user-wk9fi3lw9r
@user-wk9fi3lw9r 5 ай бұрын
How can I make .prm format file for any ligand that I want from their xyz file?
@kingdee4725
@kingdee4725 2 жыл бұрын
the video image is too poor, you need to fix it more
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