Hi
Thank you for the clarification!
Kind regards
Charles-Alexandre Mattelaer
Op ma 17 jun. 2019 21:41 schreef Daniel Roe <daniel.r.roe.gmail.com>:
> 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
