Re: [gmx-users] Re: g_rms and g_rmsdist on initial structure

Because it uses the atom index, which is most likely NOT the same as your processed file will not contain certain hydrogens, which are present in A.pdb. 24 aug 2012 kl. 16.33 skrev Hsinlin: > Thank you for your reply. > I checked the coordinates of all C-alpha atoms between two .pdb files. > The

[gmx-users] Re: g_rms and g_rmsdist on initial structure

Thank you for your reply. I checked the coordinates of all C-alpha atoms between two .pdb files. They are exactly the same. So I don't understand why g_rms(g_rmsdist) selecting group C-alpha give me high values. Sincerely yours, Hsin-Lin Erik Marklund wrote > > Hi, > > Since gromos-forcefields

[gmx-users] Re: g_rms and g_rmsdist on initial structure

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