Hi,
Currently you would have to do it via a series of 'trajin' commands
which is not very elegant. It's a good idea for a feature: I've
created an issue on the cpptraj GitHub site and will try to implement
it soon: https://github.com/Amber-MD/cpptraj/issues/918
-Dan
On Fri, Oct 1, 2021 at 11:52 PM Matthew Guberman-Pfeffer
<matthew.guberman-pfeffer.uconn.edu> wrote:
>
> Dear Amber Community,
>
> I’ve computed a property for a series of frames. I’m wondering if there is a straightforward way to reshuffle these frames to form a pseudo trajectory with the frames in the order in which the property increases.
>
> Best,
> Matthew
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Received on Sat Oct 02 2021 - 06:30:03 PDT
