Dear all, My system has a slab geometry in the x-y plane. I want to use a pseudo-2d Ewald summation. Therefore I need to add a vacuum slab. I've some confusion about the height of the vacuum slab. As I understand from the paper, J. Chem. Phys. 111, 3155 (1999), the height of the vacuum slab is calculated as below: delta_zvacuum >=3 max(x, y) However in the explanation of 3dc in gromacs manual, the vacuum slab height is taken as 3 times of the system slab height. Which one is true? If you can answer me, I'll be so glad.
Regards, Akn. -- View this message in context: http://gromacs.5086.n6.nabble.com/pseudo-2d-Ewald-tp5004112.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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
