[gmx-users] how to calculate redisue wise RMSD in gromacs?

yren at home.ipe.ac.cn yren at home.ipe.ac.cn
Fri Mar 28 03:13:45 CET 2008

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

More information about the gromacs.org_gmx-users mailing list