Hi,
On Sat, Jun 15, 2019 at 9:00 AM Charles-Alexandre Mattelaer
<camattelaer01.gmail.com> wrote:
> expect this to be an angle but since the reported values in cpptraj are
> only small I suspect this to be in radians. Would someone be so kind to
Yeah, the amplitude values are not converted to degrees - I think that
was an oversight on my part. According to the equations for A-S
(assuming I'm reading them right) the amplitude amp (where amp =
sqrt(A^2+B^2) should be in radians since A and B are in radians. I
think same thing for C-P as well, although I'm going to double check
that. Note that theta for C-P is actually converted to degrees, so its
only the amplitude values that have this issue.
-Dan
> comment on my suspicion? I checked the manual but it isn't mentioned in
> what unit the amplitude is reported.
>
> Is it also the case for the Cremer nomenclature that the amplitude in this
> definition is the 'out-of-plane displacement'?
>
> Thanks in advance!
>
> Charles-Alexandre Mattelaer
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Received on Mon Jun 17 2019 - 13:00:02 PDT
