[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 
> uses:
> B = (RMSF2 x 8π2)/3  and would like to know if the same is used in GROMACS.
Of course.

> Cheers, Una
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php

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

More information about the gromacs.org_gmx-users mailing list