Re: [gmx-users] flexibility

Hi Tsjerk, thanks for nice the reference. If I have understood correctly, the authors have applied their technique to characterize the residues and the respective motions that confer thermal stability to a thermophilic enzyme compared to a mesophilic homologue. In my case I want to study the effec

Re: [gmx-users] flexibility

Hi, The usual (statistical) way to compare fluctuations (variances) is by taking the ratio (i.e. of the MSFs, not the RMSFs). Maragliano e.a. (BiophysJ 2004) wrote on such comparison of fluctuations, using a variance ratio test. In your case, you'd have to combine it with a structure alignment to

Re: [gmx-users] flexibility

shiva birgani wrote: Message: 1 Date: Tue, 31 May 2011 06:56:16 -0400 From: "Justin A. Lemkul" mailto:jalem...@vt.edu>> Subject: Re: [gmx-users] flexiblity To: Discussion list for GROMACS users mailto:gmx-users@gromacs.org>> Message-ID: <4de4c950.70...@vt.edu