[gmx-users] To remove rot+trans from the trajectory

[David]

On Thu, 2005-10-27 at 21:21 +0530, sunita at chem.iitb.ac.in wrote:
> Dear Users,
> 
> I want to perform essential dynamics on my trajectory.
> 
> To remove the overall rotational and translational motion, I did trjconv
> with -fit rot+trans in gromacs 3.2.1.
> 
> Is it the correct way to do?
it's unnecessary as g_covar can do it automatically.

> 
> Your suggestions will be appreciated.
> 
> Best regards,
> sunita
> 
> 
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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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