I need a solution without the use of plumed patching for ambermd.
On Thu, Dec 20, 2018 at 10:43 PM Akshay Prabhakant <
akshayresearch16.gmail.com> wrote:
> I have a collection of atoms which forms a helical structure. I need to
> find the vector corresponding to the axis of this helix, since I will be
> using that as a collective variable in an umbrella sampling simulation. Can
> someone please suggest me a way around?
>
> A follow up question: How can i get angle between two vectors in amber as
> a collective variable?
>
> Thanks in advance.
>
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Received on Thu Dec 20 2018 - 10:00:03 PST
