Hi, is there a rapid way to compute RMSF on an NMR ensemble from a PDB file?
g_rmsf needs a .tpr file. This is OK with the MD trajectories but if I want to compare MD ensemble one with the NMR RMSF ensemble fluctuations from the original PDB this is not possible. Thanks, Andrei -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
