回复： Re: [gmx-users] r.m.s.i.p

[xi zhao]

Based on the essential dynamics analysis, the similar of the internal fluctuations in may simulation systems was evaluated by comparing principal subspace first 10 eigenvectors) of each structural trajectory by using the root mean square inner product(RMSIP).         Amadei, A., de groot, B. L., Ceruso, M. A., Paci, M., Di Nola, A. & Berendsen, H. J. A kinetic model for the internal motions of proteins: diffusion between multiple harmonic wells. Proteins. 1999. 35, 283-292.


Mark Abraham <Mark.Abraham at anu.edu.au> 写道：  xi zhao wrote:
> Dear Gromacs users:
> I am a new gromacs user, I want ro calculate r.m.s.i.p
> for exploring similar in motions of two different
> proteins, I need a script or tools to calculate it. I
> need your help!

I don't know what r.m.s.i.p is. If you want to get help, please define
carefully what you are trying to do - even a link to a journal article
might work. Please read carefully the gromacs manual section that
describes what the utility programs do, in case one of them does it.

Mark
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