[gmx-users] reference structure of g_rms

Hsin-Lin Chiang 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)
For example,
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 
different result.
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

Sincerely yours,

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