Re: [gmx-users] problem regarding gmx trjconv

On 5/2/19 6:59 AM, Saumyak Mukherjee wrote: Dear All, I have an insulin hexamer, which (because of PBC) apparently breaks into pieces after simulation. To make the molecule whole, I use the following command: gmx trjconv -f traj.xtc -s md.tpr -o traj_whole.xtc -pbc cluster or gmx

[gmx-users] problem regarding gmx trjconv

Dear All, I have an insulin hexamer, which (because of PBC) apparently breaks into pieces after simulation. To make the molecule whole, I use the following command: gmx trjconv -f traj.xtc -s md.tpr -o traj_whole.xtc -pbc cluster or gmx trjconv -f traj.xtc -s md.tpr -o traj_whole.xtc -pbc