[gmx-users] Question about trjorder
leehk at umich.edu
Sat Aug 4 00:34:21 CEST 2007
I'm using Gromacs 3.3.1, and trying to collect solvents within specific
distance from a part of peptide.
I typed "trjorder -f *.xtc -n *.ndx -s *.tpr -o -nshell -da 8 -na 12 -r
2.5". I correctly typed reference molecule, and the result of -nshell
looks OK, but couldn't get the result of "-o" (.xtc).
I wonder if I missed something or there is a bug in trjorder.
Thanks for your help.
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