[gmx-users] x,y and z components of rmsf?

Erik Marklund erikm at xray.bmc.uu.se
Wed Mar 28 22:37:06 CEST 2012

I believe that rmsf can compute anisotropic b-factors, but have not tried it myself.


28 mar 2012 kl. 22.32 skrev patrick wintrode:

> Does some one know of a way to get g_rms or g_rmsf to write out the x, y, and z components of the rms(f) for each atom/residue separately?
> Thanks.
> Patrick L. Wintrode
> Department of Pharmaceutical Sciences
> University of Maryland
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Erik Marklund, PhD
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,    75124 Uppsala, Sweden
phone:    +46 18 471 6688        fax: +46 18 511 755
erikm at xray.bmc.uu.se

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