Dear amber users,
I am doing umbrella sampling between 2 atoms. Now I want to take the center
of mass of 2 atoms as the first position and the second position as the ion
itself .
For 2 atoms only i have writing this , as the following :-
>iat=159,815
159 is the index of first atom and 815 is the index of second atoms
but for 2 atoms' center of mass, i don't know the syntax.
*-------------------------------------------------*
*With Regards*
*Angad Sharma*
*Research Scholar*
*School of Computational & Integrative Sciences*
*Jawaharlal Nehru University*
*New Delhi 110067, (INDIA)*
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Received on Fri Apr 28 2023 - 10:30:02 PDT
