[gmx-users] C-alpha group
pwnrghv at gmail.com
Tue Jun 1 09:54:38 CEST 2010
For ED sampling I have used mdrun command to simulate about
59 residue protein (hypothetical model) then used g_covar to get
eigenvec.trr and eigenval.xvg files. But while using this command it asked
to chose a group two times, so according to this I have choosed C-alpha
group for two time. But it showed a note i.e. the fit analysis group are
identical, while the fit is mass weighted and the analysis is not making the
fit non mass weighted.
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?
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