Dear all, The protein I am working on is rubisco, consisting of 8 identical large subunits and 8 identical small subunits. I try to calculate RMSF for each large subunits, but the rmsf values seems much large to some large subunits. So I check the first frame of the protein structutre, and I found that these large subunits having large rmsf values seems separate in the box. Then I tried to use trjconv -pbc nojump to remove the jump for each of them in the xtc file. When I use new xtc file and original tpr file to calculate the rmsf, it shows " Segmentation fault" error. This may be because the coordinators of atoms in the tpr file are very diffrent from that in the fist frame. Do you know how to solve this problem?
Thank you Tang Jiaowei _______________________________________________ gmx-users mailing list [email protected] http://www.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
