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hainm avatar hainm commented on July 30, 2024

cc @drroe, just in case you know what's going on.

from pytraj.

cloudella48 avatar cloudella48 commented on July 30, 2024

Hi .. another questions you might be able to answer me apart from this wired issue explained above..
When one calculates major grooves, the values are around 19 to 20 like in the example given in the documentation. As the calculated value is said to be the major groove width (which normally is around 12 Angström) I wanted to ask, if it is rather the length of the groove? I am a bit lost here, also because it is not very well explained what exactly is calculated.. Is there another manual where one can see what exactly is calculated ?

from pytraj.

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