Re: [gmx-users] editconf do not center protein

2012-06-29 Thread Justin A. Lemkul
On 6/29/12 4:48 AM, reising...@rostlab.informatik.tu-muenchen.de wrote: Hi everybody, I want to put my protein in a box with the command: editconf -f 3m71.gro -o 3m71_box.gro -c -bt dodecahedron -d 1.0 2>>logErr 1>>logOut and add solvent afterwards with: genbox -cp 3m71_box.gro -cs spc216.gr

[gmx-users] editconf do not center protein

2012-06-29 Thread reisingere
Hi everybody, I want to put my protein in a box with the command: editconf -f 3m71.gro -o 3m71_box.gro -c -bt dodecahedron -d 1.0 2>>logErr 1>>logOut and add solvent afterwards with: genbox -cp 3m71_box.gro -cs spc216.gro -p 3m71.top -o 3m71_water.gro 2>>logErr 1>>logOut But when I look at it I