Hello, I am trying to calculate spatial distribution function (SDF) for my system.
1. trjconv -s 3.tpr -f 3.trr -o b.xtc -center -ur compact -pbc none -n test.ndx 2. rajconv -s 3.tpr -f b.xtc -o c.xtc - fit rot+trans -n test.ndx I am getting the following error for step 2. Fatal error: Index[2385] 2410 is larger than the number of atoms in the trajectory file (2409). How can I solve this problem? Duirng my simulation I didn't specify xtc_grps this option in md file. Thanks Nilesh -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! 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
