Hi, I have 2 questions regarding root mean square fluctuation calculations:
1. what exactly is the difference between the values in the rmsf.xvg file and the values in the rmsdev.xvg file (obtained with the -od option)? Are the rmsf.xvg values are standard deviations of atom positions along the trajectory with respect to an average structure of the trajectory? And rmsdev.xvg values are the same but in respect to a reference structure defined by the tpr file? 2. Is it possible to fit the trajectory structures, prior to rmsf calculations, on only part of the protein? Thanks, Efrat
-- 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/Support/Mailing_Lists/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/Support/Mailing_Lists
