[gmx-users] deletion of some water molecules
leila karami
karami.leila1 at gmail.com
Tue Aug 31 16:45:54 CEST 2010
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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