Re: [gmx-users] trjconv with superposition

Liu Shiyong wrote: Dear Colleagues, I want to extract PDB snapshot from trajectory file by following command. It works in 4.0, but not in 4.5 pdb=1akk trjconv -f ${pdb}_gromos53a6_MD2.traj.trr -o ${pdb}_gromos53a6_MD2.traj.xtc trjconv -s ${pdb}_gromos53a6_MD2.tpr -f ${pdb}_gromos53a6_MD2.

[gmx-users] trjconv with superposition

Dear Colleagues, I want to extract PDB snapshot from trajectory file by following command. It works in 4.0, but not in 4.5 pdb=1akk trjconv -f ${pdb}_gromos53a6_MD2.traj.trr -o ${pdb}_gromos53a6_MD2.traj.xtc trjconv -s ${pdb}_gromos53a6_MD2.tpr -f ${pdb}_gromos53a6_MD2.traj.xtc -dt 20 -b 0 -o ${