Re: [gmx-users] ask for help on MARTINI SIMULATION OF POPC lipids with polarisable water

Hi XAvier, Thanks for your help! I will try it now. Have a great day! Wei > > Hi Wei, > > What you need here is to increase the rdd to 1.4/1.5 nm. You can do that > using the -rdd option of mdrun. > > Turning pme on would have no effect. > > XAvier. > > On Feb 8, 2011, at 20:56, wez...@ucalgary.c

[gmx-users] ask for help on MARTINI SIMULATION OF POPC lipids with polarisable water

Dear All, I have performed a simulation of POPC with polarisable water model in presence of 0.2 mol CaCl2 based on MARTINI CG model. I used shift for the electrostatic interactions and the job was done on a 8-core node with domain decomposition 2 2 2. The lipid bilayer consists of 512 lipid and 16