[gmx-users] Can I specify the residue numbers for RMSD?

[ZHANG Cheng]

Dear Gromacs,
My MD contains a protein (442 residues) and 203 free glycines. The numbering of the residues is:


1-442: the protein residues
443-645: the 203 free glycines


When I use the "rms" command, all the 645 residues are considered as the "Protein" category.


I cannot find an option that could only calculate rmsd for the first 442 residues in my proteins. How can I do this? Thank you.


Group     0 (         System)
Group     1 (        Protein)
Group     2 (      Protein-H)
Group     3 (        C-alpha)
Group     4 (       Backbone)
Group     5 (      MainChain)
Group     6 (   MainChain+Cb)
Group     7 (    MainChain+H)
Group     8 (      SideChain)
Group     9 (    SideChain-H)
Group    10 (    Prot-Masses)
Group    11 (    non-Protein)
Group    12 (          Water)
Group    13 (            SOL)
Group    14 (      non-Water)
Group    15 (            Ion)
Group    16 (             NA)
Group    17 (             CL)
Group    18 ( Water_and_ions)