Re: Analysis of force applied to a certain atom

From: Giacomo Fiorin (
Date: Thu Jan 23 2020 - 09:17:59 CST

Hi Dimitri, look for either the loadforces command in tclForces (caveat:
the forces are available only at the next MD step) or the forceDCDfile


On Thu, Jan 23, 2020 at 10:15 AM <> wrote:

> 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

Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Research collaborator, National Institutes of Health, Bethesda, MD

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