[gmx-users] trjconv -fit rot+trans

[David van der Spoel]

On Mon, 2004-11-29 at 05:59 +0000, Abil Aliev wrote:
> thanks. on a related matter, what is the difference between -fit and -
> pfit?
fit is fit to ref structure pfit is fit to previous structure
> 
> David <spoel at xray.bmc.uu.se> wrote: 
>         On Sun, 2004-11-28 at 19:58 +0000, Abil Aliev wrote:
>         > i was wondering if somebody could clarify the rot option of
>         trjconv:
>         > does this remove both the overall and internal torsional
>         motions or
>         > only the overall rotation. 
>         only overall.
>         
>         > 
>         > 
>         > 
>         > 
>         > 
>         >
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>         David.
>         ________________________________________________________________________
>         David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics
>         group,
>         Dept. of Cell and Molecular Biology, Uppsala University.
>         Husargatan 3, Box 596, 75124 Uppsala, Sweden
>         phone: 46 18 471 4205 fax: 46 18 511 755
>         spoel at xray.bmc.uu.se spoel at gromacs.org
>         http://xray.bmc.uu.se/~spoel
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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