Re: [gmx-users] box shape

2010-11-04 Thread Justin A. Lemkul
mustafa bilsel wrote: Dear Lina, could you express these commands clearly? I am a new user! You've been given commands that are almost exactly what you should enter in a terminal. I would suggest you describe exactly why they aren't clear. editconf -f peptide.pdb/.gro -o peptide_center_

[gmx-users] box shape

2010-11-04 Thread mustafa bilsel
Dear Lina, could you express these commands clearly? I am a new user! editconf -f peptide.pdb/.gro -o peptide_center_in_simulation_ box.gro -center x/2 y/2 z/2 -box x y z genbox -cp peptide_center_in_simulation_box.gro -cs spc216.gro -o they_are_in_the_same_box_now.gro -p topol.top -- gmx-users