Hi, Ming Tang
If you mean in NFE module I think you cannot, since in NFE module it needs
to set the atom IDs and define some CV based on that, right now it cannot
handle flexible atom IDs. So just use plumed
Best
Feng
On Thu, Jan 6, 2022 at 9:41 PM Ming Tang <m21.tang.qut.edu.au> wrote:
> Dear list,
>
> In amber, can we define the number of atoms in a molecule that are within
> a certain distance of another molecule as cv_type? I know it is doable in
> plumed.
>
> Thanks
> Tammy
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--
Feng Pan
PostDoc
Florida State University
Department of Statistics
Email: fpan3.ncsu.edu; fpan.fsu.edu
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Received on Fri Jan 07 2022 - 08:30:02 PST
