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

[Tsjerk Wassenaar]

Please start a new thread for a new topic.

T.

On Thu, Mar 29, 2012 at 12:39 AM, Asaf Farhi <asaf.farhi at weizmann.ac.il>wrote:

>  Dear GMCS users
>
>  Hi. Does anyone know if MD at 20000K is feasible?
>
>  Thanks,
> Best regards,
> Asaf
>  ------------------------------
> *From:* gmx-users-bounces at gromacs.org [gmx-users-bounces at gromacs.org] on
> behalf of Erik Marklund [erikm at xray.bmc.uu.se]
> *Sent:* Wednesday, March 28, 2012 10:37 PM
> *To:* Discussion list for GROMACS users
> *Subject:* Re: [gmx-users] x,y and z components of rmsf?
>
>  I believe that rmsf can compute anisotropic b-factors, but have not
> tried it myself.
>
>  Erik
>
>
>  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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>
>
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-- 
Tsjerk A. Wassenaar, Ph.D.

post-doctoral researcher
Molecular Dynamics Group
* Groningen Institute for Biomolecular Research and Biotechnology
* Zernike Institute for Advanced Materials
University of Groningen
The Netherlands
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