Re: Negative Forces in SMD Simulations

From: Josh Vermaas (joshua.vermaas_at_gmail.com)
Date: Thu May 21 2020 - 18:16:52 CDT

Negative forces just mean you are holding it back along your chosen
reaction coordinate, rather than forcing it forward. This can be perfectly
normal, or a sign of something being wrong. Depends on the reaction
coordinate.
Josh

On Thu, May 21, 2020, 3:49 PM Souvik Dey <sdey8_at_uic.edu> wrote:

> Dear NAMD users,
>
> I have been trying to do an SMD simulation and I keep getting negative
> forces throughout the simulations. Why is something like this happening?
> Does this mean I am doing something wrong?
>
> I followed the exact same protocol like it was given in the NAMD tutorial (
> https://www.ks.uiuc.edu/Training/Tutorials/namd/namd-tutorial-html/node16.html
> )
>
> Thanks in advance.
>
> Regards,
> Souvik
>
>
>
>
>
>

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