[gmx-users] RMSF and temperature factors

2009-01-07 Thread Una Bjarnadottir

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.

Cheers, Una

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Re: [gmx-users] RMSF and temperature factors

2009-01-07 Thread 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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