[gmx-users] Pressure annealing in Gromacs?

[Jussi Lehtola]

On Wed, 2009-12-02 at 10:45 -0500, chris.neale at utoronto.ca wrote:
> Sounds like a phase change. If that is the case, 10 ns is likely not  
> enough to expect equilibration considering that bilayers can take 50ns  
> (or even substantially longer) to equilibrate the area per lipid after  
> a phase change.

Yes, this is of course what is probably happening. At least it would
explain why the density is increasing so slowly after a temperature
anneal to 1000 K.

-- 
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Jussi Lehtola, FM, Tohtorikoulutettava
Fysiikan laitos, Helsingin Yliopisto
jussi.lehtola at helsinki.fi, p. 191 50632
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Mr. Jussi Lehtola, M. Sc., Doctoral Student
Department of Physics, University of Helsinki, Finland
jussi.lehtola at helsinki.fi
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