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From: Christine Horejs (christine.horejs_at_gmail.com)
Date: Tue Oct 27 2009 - 12:18:15 CDT
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Hi,
yes, this is what I did initially, but I got the following error message:
PDB WRITE ERROR: Position, occupancy, or b-factor (beta) for atom 0
cannot be written in PDB format.
File will be truncated.
ERROR) write_timestep returned nonzero
Do you know what the problem is?
Thank you for your help,
Christine
2009/10/27 John Stone <johns_at_ks.uiuc.edu>
>
> Hi,
> If you've loaded it into VMD, you can select the molecule, and use
> the "save coordinates" item in the File menu to do this, selecting the
> final frame.
>
> Cheers,
> John Stone
> vmd_at_ks.uiuc.edu
>
> On Tue, Oct 27, 2009 at 12:50:06PM -0400, Christine Horejs wrote:
> > Dear all,
> > I have a lammpstrj file and I would like to save the last frame of the
> > simulation, meaning the final configuration of the protein, as a pdb
> file.
> > Does anyone know how to do that?
> > Thank you so much and have a great day,
> > Christine
>
> --
> NIH Resource for Macromolecular Modeling and Bioinformatics
> Beckman Institute for Advanced Science and Technology
> University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
> Email: johns_at_ks.uiuc.edu Phone: 217-244-3349
> WWW: http://www.ks.uiuc.edu/~johns/ Fax: 217-244-6078
>
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