Re: lipid bi-layer and SiO2

From: Eduardo (chucruz_at_ks.uiuc.edu)
Date: Fri May 08 2009 - 14:49:32 CDT

If you are using (JPCB 110:21497-21508, 2006) for the silica, better
to follow the protocol specified in that publication. Probably you
need to restraint the silica.

On May 8, 2009, at 2:36 PM, Raul Araya wrote:

> Dear NAMD users:
>
> Im trying to perform som MD simulations involving a fatty acid and a
> SiO2 surface. I have placed the lipid bi-layer over the SiO2 surface
> with and without water at both ends of the bi-layer and I have done
> NVT and NPT simulations and in all cases my simulation fails at the
> end of the minimization. The lipid bi-layer seem to come apart. That
> is, the upper layer starts to move upwards away from the other layer.
> Until now I have not logical explanation for this, can any one help me
> please...
>
>
>
> Raúl Araya Secchi
> B.Sc Molecular Biotechnology.
> Molecular Biotechnology Engineer.
> Centre for Bioinformatics CBUC,
> Faculty of Biological Sciences, P. Universidad Catolica de Chile
> Portugal # 49 – ZIP 6513492 Santiago – Chile Phone: + 56 2 6862269;
> http://www.cbuc.cl

=====================
Eduardo Roberto Cruz Chu
=====================

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