[gmx-users] Pressure annealing in Gromacs?

Jussi Lehtola jussi.lehtola at helsinki.fi
Wed Dec 2 19:15:55 CET 2009

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.

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

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