[gmx-users] Gromos DPPC bilayer: different results for 4.0.7 and 4.6.5

Mirco Wahab mirco.wahab at chemie.tu-freiberg.de
Sat Dec 21 14:39:52 CET 2013


On 21.12.2013 00:17, Patrick Fuchs wrote:
> Hi,
> to follow up on this, the simulation with "Reaction-Field-nec" under
> 4.5.3 has completed. The final area is 0.60 nm^2 (see
> http://redmine.gromacs.org/issues/1400 for the plot). Lutz, you
> mentionned you tried a simulation with nstlist=1, could you give
> feedback on redmine?

nstlist=5 vs nstlist=1 (preliminary results):

http://imgur.com/eQlC0oy

Regards

M.



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