Mark hello, 2011/11/10 Mark Abraham <mark.abra...@anu.edu.au>
> From your description, I think you're comparing apples with oranges. > > I just want compare results of coarse grained NMA based on C-alpha only with full atomic NMA. I've already done that work and obtain that 1- overal picture of fluctuations is the same for both methods 2- in case of full atomic NMA overal motion is damped in comparison to the C-alpha only NMA ( rmsf of fluctuations are greater in 10 times) 3 Finally I just want to obtain fluctuations on Calpha atoms only for my full atomic NMA for better comparison with cg NMA (e.g representation on one graph RMSF on Calpha atoms only for both methods ) James > > Is there any way to increase amplitude of fluctuations by the temperature >> rising for instance ? >> > > NMA is athermal. > > > Mark > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<http://www.gromacs.org/Support/Mailing_Lists/Search>before > posting! > Please don't post (un)subscribe requests to the list. Use the www > interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read > http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> >
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