Thank you very much Javier. I think it is just a matter of convention
but I also think the convention is not clear since not everybody does
the same and so it is difficult to compare to what has already been
published. I think most of the papers do not use the convention for
unsaturated or partiall
Hello Angel.
I found a detailed description of the order parameter conventions to
describe molecular axis in a paper from Heller et al (JPC, 97,
8343-8360), including the case of unsaturated carbons. It should be
equivalent to the implementation in GROMAS.
In practice, I don't know the be
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