RE: removing water from DCD

From: Jerry Parks (
Date: Thu Jul 21 2005 - 11:27:43 CDT


catdcd is very easy to use. Just generate an index file that says which
atoms you want to keep (the numbering starts at 0, not 1). You can use
something like this:

awk 'BEGIN{for(i=0;i<=999;i++){print i}}' /dev/null > index

Then, run catdcd:

catdcd -o no_solvent.dcd -i index file.dcd


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