[gmx-users] reference structure of g_rms
jiangsl at phys.sinica.edu.tw
Wed Aug 17 10:56:14 CEST 2011
I got confused about the choice of reference structure of g_rms. (g_rms -s)
I run MD after PR.
That's means md.tpr was generated from pr.gro
I tried to use pr.gro and md.tpr to be the reference structure but get
I think these two should cause the same result.
Could someone tell me what cause the different and which choice is better?
And my version is gromacs v4.0.5
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