[gmx-users] RMSF and temperature factors

[David van der Spoel]

Una Bjarnadottir wrote:
> Dear users,
> 
> I have been trying to find information about the equation, which is used 
> in GROMACS to converts RMSF values to temperature factors. I know NAMD 
> uses:
> B = (RMSF2 x 8π2)/3  and would like to know if the same is used in GROMACS.
> 
Of course.

> Cheers, Una
> 
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-- 
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se