[gmx-users] Root-mean-square deviation

Gia Maisuradze gia at chem.unr.edu
Tue May 17 19:27:07 CEST 2005


I am studying the dynamics of different mutants of lambda repressor. I would 
like to calculate rmsd as a function of residue number. Gromacs has a few 
different programs to calculate rmsd dependence on time, but I could not 
find the dependence on residue number.

Is there any program in Gromacs which can perform this kind of calculation?


Gia Maisuradze 

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