Re: [AMBER] Random seed for restart files that have velocities?

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Tue, 2 Feb 2021 21:42:50 -0500

Are you using a Langevin integrator? the random seed initializes the
numbers for the "random" collision forces of the integrator.

On Tue, Feb 2, 2021 at 9:16 PM Liao <liaojunzhuo.aliyun.com> wrote:

> Dear Amber community,
>
> I have a question regarding the random start seed: so if I’m continuing an
> MD run using a restart file with velocity, in the mdin setting the random
> seed still seems to be effective. Why is this the case? If all my
> velocities are given, what’s being perturbed here?
>
> Thanks!
>
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Received on Tue Feb 02 2021 - 19:00:02 PST
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