Hi everyone,
I would like to merge (not concatenating using catdcd) 2 DCD files (not concatenating). Each DCD file has a protein chain. The total frames are 20001. I used the following script (using topotools http://www.ks.uiuc.edu/Research/vmd/plugins/topotools/ ), but it is giving segmentation fault (works fine for a single pdb file insted of dcd):
mol new psf1.psf
mol addfile dcd1.dcd first 0 last -1 step 1 waitfor all
mol new psf2.psf
mol addfile dcd2.dcd first 0 last -1 step 1 waitfor all
set sel1 [atomselect 0 all]
set sel2 [atomselect 1 all]
package require topotools
set out [::TopoTools::selections2mol "$sel1 $sel2"]
animate write psf merged.psf $out
animate write dcd merged.dcd beg 0 end 20000 $out
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Can someone help me?
Helloo Dev
If you can open the two DCD files together on VMD you can then save as a new single DCD file.
In the case that you cannot load the two files on VMD, you can first reduce the no. of frames (save each DCD file as DCD but stride more than 1) then try as above.
The best
Abdo
I suggest that you use catdcd to merge two or more dcd files (http://www.ks.uiuc.edu/Development/MDTools/catdcd/)
Try Catdcd: http://www.ks.uiuc.edu/Development/MDTools/catdcd/
I am not talking about concatenating dcd files. Rather what I meant is fuse Nth frame of Chain A dcd with Nth frame Chain B and so on for all N. I thought merging is better word.
I agree with Dr. Elfiky. That's the easiest way to merge two .dcd files in VMD (in my opinion).
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