[gmx-users] mass center of each molecule

Dear gmx users, I want to calculate the center of mass of each molecule in the system all through the simulation time. When I used g_traj -f traj.xtc -s topol.tpr -n index.ndx -ox coord.xvg -com'' command, I obtained the center of mass of the system I tried some ways to get the mass center of

Re: [gmx-users] mass center of each molecule

On 7/25/12 7:06 AM, akn wrote: Dear gmx users, I want to calculate the center of mass of each molecule in the system all through the simulation time. When I used g_traj -f traj.xtc -s topol.tpr -n index.ndx -ox coord.xvg -com'' command, I obtained the center of mass of the system I tried