----- Original Message ----- From: pawan raghav <pwnr...@gmail.com> Date: Wednesday, June 2, 2010 4:18 Subject: [gmx-users] g_covar To: gmx-users@gromacs.org
> Thanks Mark for your advice > > Note: The fit analysis group are identical, > while the fit is mass weighted and the analysis is not making the fit non > mass weighted. > > But, this is the the real unning out put of the command > prompt No, it isn't. :-) I've now consulted the 4.0.7 source code, this message would have had a full stop and a capital M. Since they were missing, it looked like you were saying something confused. g_covar won't do a mass-weighted fit with a non-mass-weighted analysis. g_covar -h talks about this. > Please let me know anyone what is the meaning of this note? and also tell me > is it right to choose C-alpha group for two times? > > Yes I want to do the structure-fitting on the same set of atoms as I do the > analysis. Well, then you need to make a choice consistent with that. Mark
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