[gmx-users] Rupture force definition
jalemkul at vt.edu
Tue May 15 17:43:13 CEST 2018
On 5/15/18 2:46 AM, Rakesh Mishra wrote:
> Dear Justin,
> In all the respect that you have suggested is absolutely correct.
> But I have a question that just like a constant rate pulling
> like - [pull_coord1_rate = 0.01 ; 0.01 nm per ps = 10 nm
> per 1 ns ( which was from your umbrella sampling)]
> Is there any formate in gromacs for the pulling for force rate like.
> 0.01 pn per ps/fs (rather than constant force pulling)
I know of no such formula.
Justin A. Lemkul, Ph.D.
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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