[gmx-users] weird problem about editconf and genbox

2010-05-19 Thread Lin Xu
Hi, I have two questions concerning generating a solvent box for my protein using gromacs 3.3.1. 1) I used to use editconf to generate a dodecahedron box, then use genbox. It used to work fine: $editconf -f protein.gro -o protein_box.gro -d 0.9 -bt dodecahedron -c $genbox -cp protein_box.gro

Re: [gmx-users] weird problem about editconf and genbox

2010-05-19 Thread Justin A. Lemkul
Lin Xu wrote: Hi, I have two questions concerning generating a solvent box for my protein using gromacs 3.3.1. Any particular reason you're using software that is over four years old? Gromacs 4.0.7 will give you a major speed upgrade, and lots of new features. 1) I used to use editconf