[gmx-users] Rupture force definition

[Justin Lemkul]

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

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

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