[gmx-users] Question about trjorder
tsjerkw at gmail.com
Mon Aug 6 09:02:57 CEST 2007
What output did trjorder give? Was the harddisk full? It's fairly
unlikely that this is a bug in trjorder. You're not the first one to
have used this program.
On 8/4/07, Hwankyu Lee <leehk at umich.edu> wrote:
> Dear GMX-users,
> 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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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
3584 CH Utrecht
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