[gmx-users] force/time application for pull

[Justin Lemkul]

On 8/9/18 6:37 AM, Rakesh Mishra wrote:
> Dear all,
>
> Can anyone shed some light as ,Is it possible to apply force/time for
> pulling in gromacs. Means I want to pull my system in step wise . eg.
>    0 - t1     force applied f1
>    t1+dt  to t2     force f2
>    t2+dt  to t3     force f3
>    .
>    .
>    .
>    tn-1 +dt  to tn     force fn
>   Is it possible.

Not in a single run. You would have to run a simulation for interval 0 - 
dt, generate a new .tpr file for the time period of (t1+dt) - t2, etc.

-Justin

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

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