Dear friends, I have carried out a simulation of a protein in solution and want to analyse redisue wise root-mean-square-deviation (RMSD) of the protein. As far as I know, RMSD can be calculated by g_rms, which gives RMSD as a function of time, but what I expect is RMSD as a function of residue number. It's said that AMBER has this function. I wonder whether gromacs can do this also. Many hanks.
Ying Ren _______________________________________________ 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
