Re: AW: [gmx-users] Shape of box

Rausch, Felix wrote: Hi Lara, Please see "editconf -h" for the available box shapes. Which of these you use is depending on your system (or a matter of taste actually). The dodecahedron is mostly used to decrease the system volume, thus it's a good choice for the simulation of a single protein

AW: [gmx-users] Shape of box

solvent (as in your tutorial?). Cheers, Felix -Ursprüngliche Nachricht- Von: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] Im Auftrag von Lara Bunte Gesendet: Mittwoch, 4. April 2012 11:24 An: gmx-users@gromacs.org Betreff: [gmx-users] Shape of box Hello If you ad

[gmx-users] Shape of box

Hello If you add solvent water around your protein you have to generate a box with the editconf command. How to know what shape that box should have? In my tutorial is a dodecahedron used. What other boxes exist and how to know which box one has to use? Thanks Greetings Lara -- gmx-users mail