Re: [gmx-users] lower Area per lipid for DPPC with CHARMM36

Hi Justin, Still there is some problem. In the short equilibration I've got the good value of the Area per lipid. But now in the production run, it kept on decreasing. Presently, the value is ~56 A^2. The following .mdp has been used.

Re: [gmx-users] lower Area per lipid for DPPC with CHARMM36

Oh! Thanks. :) Sorry I should have checked it before running the simulation. Now, I'm getting APL ~62.5 A^2 which is pretty good compared to the expt. On Sun, Feb 15, 2015 at 6:28 PM, Justin Lemkul jalem...@vt.edu wrote: On 2/15/15 7:39 AM, tarak karmakar wrote: Dear All, All atom

[gmx-users] lower Area per lipid for DPPC with CHARMM36

Dear All, All atom simulation of DPPC bilayer (128 lipids) is resulting a low area per lipid (sliding down from ~58 to ~54 in 4 ns NPT). I'm performing the simulation in gromacs-5.0.4 with the charmm36 force field parameters for the lipid molecules. The NPT.mdp is pasted bellow,

Re: [gmx-users] lower Area per lipid for DPPC with CHARMM36

On 2/15/15 7:39 AM, tarak karmakar wrote: Dear All, All atom simulation of DPPC bilayer (128 lipids) is resulting a low area per lipid (sliding down from ~58 to ~54 in 4 ns NPT). I'm performing the simulation in gromacs-5.0.4 with the charmm36 force field parameters for the lipid molecules.