Analysis of force applied to a certain atom

From: nikolaev_at_spbau.ru
Date: Thu Jan 23 2020 - 09:12:27 CST

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Dear colleagues,

Is there a possibility to calculate the forces (Fx, Fy, Fz) applied to a
specific atom of my molecular system and, for example, visualize how it
changes in the trajectory? I do not apply external forces, only want to
obtain the classical dU/dr.

Best regards,
Dmitrii

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