[gmx-users] trajectory manipulation on individual groups or cut & paste ?

[David]

On Wed, 2005-08-03 at 19:19 +0200, Marc Baaden wrote:
> Hi,
> 
> still manipulating and transforming trajectories. Actually the
> options we need are all in trjconv, but the problem is that we
> would need to apply them separately, either only to the protein(s)
> or only to the water(s).
> 
> Is this possible ?
Don't think so...
> 
> Or alternatively could one create separate protein and water trajectories,
> manipulate them individually and then re-assemble into a common xtc file ?
Yes, if you use an intermediate file like pdb and a script. Nothing more
automatic I'm afraid...
> 
> Thanks,
>   Marc
> 
-- 
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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