Hi All, I’m currently running GROMACS to simulate a simple phospholipid bilayer membrane (POPC) under deformation.
1. For production step, GROMACS does not allow me to use Nose-Hoover barostat for pressure coupling, I can only choose among Berendsen, Parrinello-Rahman, Isotropic or MTTK options. What are the differences between *Parrinello-Rahman, Nose-Hoover and MTTK?* Nose-Hoover can be used for temperature coupling, but not for pressure coupling. Why is that? 2. I'm not very clear what is constraints? And what are the differences between LINCS and SHAKE constraint algorithm? 3. What does "refcoord_scaling" do in pressure coupling? Thank you very much for sharing your time. Best regards, Anh Vo -- 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.
