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merging multiple pdb files
#20702 04/08/09 09:31 PM
Joined: Apr 2009
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RaduT Offline OP
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Hello,

I have generated multiple pdbs from a md simulation based on the .psf and the .dcd files.
I now wish to merge all these files into a single multiframe pdb. This is possible using the charmming interface when selecting "Make Movie" but, unfortunately, it does not provide the script used to create the *mdmovie.pdb.

Can someone provide a script for this task?
Many thanks,
Radu

Re: merging multiple pdb files
RaduT #20703 04/08/09 10:46 PM
Joined: Sep 2003
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rmv Online Content
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See the WRITE description in io.doc, esp. the details on how to write PDB 'MODEL' files with multiple coord sets.

Questions about CHARMMing should be posted in that specific forum.


Moderated by  lennart, rmv 

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