Starting from a rhombic dodecahedron xtc file, trjconv -fit rot+trans -f a.xtc -s a.tpr -o a_fit.xtc trjconv -center rect -pbc whole -f a_fit.xtc -s a.tpr -o a_fit_cent.xtc
Visualization of a.xtc and a_fit.xtc via VMD are as expected. Nevertheless, a_fit_cent.xtc shows overlapping atoms and regions of zero density. Why is this? _______________________________________________ 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
