Hi,
I am trying to apply a surface tension to a membrane bilayer, below is the mdp parameters I am using: pcoupl = Berendsen pcoupltype = surface-tension tau_p = 10.0 10.0 ref_p = 500 1.0 compressibility = 4.5e-5 4.5e-5 I have two questions: 1, In the manual it is mentioned that compressibility should be accurate enough, I am wondering what is the recommend compressibility if I am trying to simulate a POPC bilayer. 2, In the manual, it is also mentioned that the compressibility of z direction can also be set to 0, so that one can get a constant height. If I use compressibility = 4.5e-5 0 can I still get a physical correct ensemble (NPT)? How a constant height may affect the simulation system? I am running a membrane protein, and the main focus is the protein in my case. I am thinking to use a constant height, because the force field I am using (charmm36) may result a mysterious sudden expansion of the bilayer in gromacs. Thanks for your help, I really appreciate. Cheers, Ruo-Xu Gu, -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
