[gmx-users] loiuc vermeer-seperating bilayers.
lindahl at sbc.su.se
Fri Sep 9 19:24:26 CEST 2005
Great that it worked.
For reference - the relaxation time for individual lipid
reorientation is in the order of 5-10 nanoseconds. In comparison,
water molecules reorient on picosecond scale, so it's not surprising
that you must use a much weaker coupling for bilayers.
On Sep 9, 2005, at 6:34 PM, Ramachandra Rao Gullapalli wrote:
> Dear Louic,
> I had this problem a couple of weeks ago and when i posted the
> questions erik
> kindly replied back. However, the one thing that did work for me
> was that i ran
> an NPT simulation with an increased tau_p. Earlier i was using a
> tau_p of 0.5,
> but when i increased it to 5.0, the seperation dissappeared, albeit
> Also one thing that i think helps is to run the simulation
> intially with NVT
> ensemble and then switch to NPT with the above mentioned
> parameters. However, i
> m beginning to understand the importance of properly equilibriating
> a bilayer
> for long times before using it for actually running it.
> I dont know if it helps, but let me know.
> The important thing is not to stop questioning. Curiosity has its
> own reason for existing...
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