[gmx-users] RMSF and temperature factors
David van der Spoel
spoel at xray.bmc.uu.se
Wed Jan 7 18:41:40 CET 2009
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
> B = (RMSF2 x 8π2)/3 and would like to know if the same is used in GROMACS.
> 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
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