Re: Polymer moves to the edge of water box during the simulation

From: Josh Vermaas (vermaas2_at_illinois.edu)
Date: Tue Apr 12 2016 - 16:54:35 CDT

Hi Farideh,

Why is this a problem? Things move in simulation. That's kinda the
point. :D What are your wrapping options? Odds are you have wrap water
or wrap all turned on, and you are getting thrown because it isn't
wrapping like you expect.

-Josh

On 04/12/2016 04:49 PM, faride badalkhani wrote:
> Dear all,
>
> I am performing a NPT simulation for a hyperbranched polymer in water
> box. There is no error message but when I load trajectory file I see
> that the polymer moves to the edge of water box. Could you tell me
> please what is the problem?
> Any help will be appreciated.
>
> Regards,
> Farideh

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