Hi,
I think 'vector minimage' should do what you want. See the manual for
full details.
-Dan
On Thu, Mar 9, 2023 at 1:21 PM Matthew Guberman-Pfeffer via AMBER
<amber.ambermd.org> wrote:
>
> Dear AMBER Community,
>
> Is there a way to print out with CPPTRAJ the x, y, and z components of the minimum displacement between two groups?
>
> I know that the mindist option to nativecontacts will give the minimum distance, but I need the x, y, and z components used to compute that distance. If I need to add a print statement to the source code, can you please direct me to where I should do that?
>
> Best,
> Matthew
>
>
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Received on Thu Mar 09 2023 - 11:30:02 PST
