Re: PME and infinite polymer

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Fri Jul 25 2008 - 09:23:28 CDT

Hi Arturas,
in principle I can think of no reason why PME wouldn't be applicable
here; indeed, since the periodicity in this system is by design rather
than artificial as in the case of soluble proteins, one could argue that
it is *more* appropriate to this system than the average case it is used
for in MD.
Best,
Peter

Arturas Ziemys wrote:
>
> Hi,
>
> I have general question. I created "infinite" polymer using binds
> across boundaries. I that kind of advice be Peter here in mailing list
> for nanotube, or Cruz-Chu paper of silica did that using NAMD.
>
> Q. How well PME is compatible with such a system ?
>
> Arturas
>

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