Re:

From: Sterling Paramore (paramore_at_hec.utah.edu)
Date: Thu Feb 23 2006 - 11:34:36 CST

Quite possibly the slowest way to do it is use a very simple tcl script
with VMD:

set nf [molinfo top get numframes]

for {set i 0} {$i < $nf} {incr i} {
   set all [ atomselect top "all" frame $i ]
   $all writepdb frame_$i.pdb
   $all delete
}

exit

For batch processing use: vmd -dispdev text file.psf file.dcd <
extract_pdbs.tcl

-Sterling

Michael Grabe wrote:

>Dear NAMD users,
>
>
>Does anyone know of a resource for taking the DCD file
>
>and writing out separate PDB files from each time step?
>
>
>Thanks
>
>Michael
>
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>tel: ++ 415.476.0421
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