[gmx-users] Trajectory to .pdb
ikass at cc.huji.ac.il
Thu Apr 1 19:37:00 CEST 2004
If you want to convert to pdb only the last frame at the trr file you can
use the -e flage and the last time step.
----- Original Message -----
From: "Peter Zoon" <zoon at science.uva.nl>
To: <gmx-users at gromacs.org>
Sent: Thursday, April 01, 2004 3:44 PM
Subject: Re: [gmx-users] Trajectory to .pdb
> You could do that with trjconv, and then export evry frame to pdb.
> Keep in mind that the fileszie will increase dramatically !
> If its only 1 structure it doesn't matter, but if you want to convert
> the whole trajectory I couldn't see why you would want to do that.
> >Dear Gromacs Users,
> >I have the run the simulation of protein in water and now I want to
> >convert the final trajectory file(.trr) to .pdb file. Please guide me how
> >can I do that?
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