From: "Hu Zhongqiao" <[EMAIL PROTECTED]>
Reply-To: Discussion list for GROMACS users <gmx-users@gromacs.org>
To: <gmx-users@gromacs.org>
Subject: [gmx-users] Problem with trjorder in 3.3.1
Date: Sat, 20 May 2006 20:21:41 +0800
Dear all,
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
much.
In 3.3 you can not use -o and -r together.
Remove the -r option.
This has been fixed for the next release.
Berk.
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