Specifying coefficients d_Ii in force-matching

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Cecília Álvares

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Oct 13, 2023, 6:37:02 AM10/13/23
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Hello,

A quick question about force-matching: I know (from reading VOTCA's official publication) that the equation below simplifies to the sum of the forces of the atoms forming the bead if I use the center-of-mass strategy to place the center of my beads in the mapping.

photo.png

But if I wanted to carry out force-matching in VOTCA specifying some other coefficients d_Ij of my choice, in which input file and how should I specify this?

Thanks in advance for the help,
Cecilia
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