Hi
You can see the mask syntax in amber manual.
Dummy example:
distance :3.C,H,N :7.CA,O
Of course you need to use your own mask.
Hai
> On Mar 1, 2017, at 4:54 PM, konda003 . <konda003.gmail.com> wrote:
>
> Hi,
>
> How to calculate the distance between the benzene ring center (not any
> particular atom) of one molecule and center of mass of second molecule
> using cpptraj from the md trajectory?
>
> Best Regards,
> KK
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Received on Wed Mar 01 2017 - 18:00:02 PST
