What happened when you tried that command?
If you ran the command, tried it, and check the output to see if it is what you want, you would be a long way head of waiting hours or more for someone on the emailing list to reply with a response. Catch ya, Dr. Dallas Warren Medicinal Chemistry and Drug Action Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3010 dallas.war...@monash.edu --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] On Behalf Of leila karami Sent: Wednesday, 1 September 2010 12:46 AM To: gmx-users Subject: [gmx-users] deletion of some water molecules Dear Erik Marklund thabks for your attention I want only have water molecules being in 1.5 nm of solute in final frame (20000 ps) I used following command: trjorder -f *.xtc -s *.tpr -n *.ndx -o *.gro -r 1.5 -b 20000 is it true?
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