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

2013-12-21 Thread Mirco Wahab
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

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

2013-12-21 Thread Lutz Maibaum
On Dec 20, 2013, at 3:17 PM, Patrick Fuchs patrick.fu...@univ-paris-diderot.fr wrote: 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