[gmx-users] conformation tensor

Alex alexanderwien2k at gmail.com
Fri May 1 08:23:04 CEST 2020

Dear all,

I like to calculate the conformation tensor for a mass of a short polymer.
The conformation tensor is defined as c_ij = 3* (<Re_i * Re_j> /
<(Re_bulk)^2>), in which Re_i and Re_j are the Cartesian components  of the
Re as the end-to-end vector. Several gmx options are available to calculate
the end-to-end distance but not the end-to-end vector.
I wonder if there is a gmx tool to either directly calculate to
conformation tensor or the end-to-end vector to extract the x and y
directions of that vector later on?

Thank you

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