From: Raul Araya (arayasecchi_at_gmail.com)
Date: Fri May 08 2009 - 14:36:41 CDT
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
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