Hi all, I wanted to use Pcoupltype = semiisotropic but I am not clear about the compressibility settings if I want to keep Z directions fixed in my system and letting X and Y change. Which case 1 or 2 is correct for semi isotropic option?
1) compressibility = 3.5e-5 3.5e-5 0 2 ) or compressibility = 1 0? Manual says 2 values are needed for x/y and z directions respectively. Thanks -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
