Tutorial-l Mailing List
From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Sun Mar 14 2010 - 19:12:03 CDT
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I would guess the electric field is putting energy into the system. Try without it to see the difference.
On Mar 14, 2010, at 6:45 PM, Jenni Carvajal wrote:
> Hi to all,
>
> I was trying to reproduce some of the calculations of ion transport in nanopores under the effect of Electric field. I have seen that even after 1ns of NVT simulation, when applying the electric field, the TOTAL energy of the system increases. Does anybody know why is this happening ? if the system is equilibrated isn't this energy have to be fluctuating around a constant value?
>
> Thanks for your help and thoughts !
>
> Jennifer C.
> Graduate Student
>
>
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