[gmx-users] interpretation of force in pulling simulation

Alex nedomacho at gmail.com
Sat Jul 28 23:17:08 CEST 2018

I do, I most definitely do. :-)

On Jul 28, 2018 2:34 PM, "Justin Lemkul" <jalemkul at vt.edu> wrote:

On 7/28/18 3:21 PM, Alex wrote:
> For calculating energy barriers in a reasonably accurate way, you
> should use the potential of mean force approach (here's Justin's
> tutorial:

I think you mean http://www.mdtutorials.com/gmx/umbrella/index.html




Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129


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