Also try g_rmsf -h. This might be what you are looking for.
Tom
--On Friday, March 28, 2008 15:07:02 +1100 Mark Abraham
<[EMAIL PROTECTED]> wrote:
[EMAIL PROTECTED] wrote:
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.
Check out "g_rms -h", in particular the -ng option. I expect you can use
this in concert with an index file that has a group for each residue.
Mark
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----------------------
TJ Piggot
[EMAIL PROTECTED]
University of Bristol, UK.
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