[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
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