Dear Zhuang
You can use ptraj to do this. See the following tutorial that does this in
section 6.2 "Cluster Analysis using the mmtsb toolset" about three quarters
of the way down.
http://www.rosswalker.co.uk/tutorials/amber_workshop/Tutorial_eight/index.ht
m
All the best
Ross
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|\oss Walker
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> -----Original Message-----
> From: owner-amber.scripps.edu
> [mailto:owner-amber.scripps.edu] On Behalf Of Zhuang
> Sent: Tuesday, November 29, 2005 20:02
> To: amber.scripps.edu
> Subject: AMBER: question convert crd files to pdb files
>
> Hi...I need to do clustering analysis on my amber crd trajectory and I
> need to convert crd into pdb format for gramacs to accept it. Is it
> possible to take the amber crd file and automatically convert each
> frame/or selcted frames (such as every 100 frams) into a pdb file? I
> know it can be done manually in many programs...but it's not possible
> to manually save thousands pdb file snapshots. Is there any program
> that does it automatically? ambpdb can only take rst files. I also
> know that Charmm can do something similar to it using a input file.
> Does amber have a program that converts crd format to other format?
> Thank you very much.
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Received on Wed Nov 30 2005 - 04:53:01 PST
