Hi! I am trying to measure the distance with releation to steps between two unconnected atoms for any trajectory. I am able to do this in VMD by labeling the atoms and saving the file. It takes forever, but the format is exactly how I need it: column one is step number and column two is distance. I thought I could do it using g_bond, but after defining the two atoms using make_ndx and trying to run >g_bond_d -f traj.xtc -n index.ndx -s traj.tpr -o dist I get an error saying "Fatal error: No distribution... (i0 = 999, i1 = 1)? ? ! ! ? !". I do not want a distribution, but a plot of step vs distance between atom a and b.
Thank you, Javad Azadi Undergraduate Researcher The Ohio State University [EMAIL PROTECTED] _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
