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

From: Josh Vermaas (
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.


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

This archive was generated by hypermail 2.1.6 : Tue Dec 27 2016 - 23:22:01 CST