[gmx-users] Problem with trjorder in 3.3.1
gmx3 at hotmail.com
Sat May 20 14:34:14 CEST 2006
>From: "Hu Zhongqiao" <zhongqiao_hu at nus.edu.sg>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: <gmx-users at gromacs.org>
>Subject: [gmx-users] Problem with trjorder in 3.3.1
>Date: Sat, 20 May 2006 20:21:41 +0800
>I tried to used the program trjorder (in the version 3.3.1) like this:
>trjorder -f xtc_4.xtc -s tpr_4.tpr -n index.ndx -o ordered.xtc -b 0 -e
>10 -r 0.3
>But the program always output nshell.xvg file, without ordered.xtc file.
>And I also tried this program in 3.2.1 using the same set of input files
>and got the right .xtc output file.
>Anyone used this program and give some solution for this? Thank you very
In 3.3 you can not use -o and -r together.
Remove the -r option.
This has been fixed for the next release.
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