Hi all,
I met a problem when I try to use trjcat to connect the trajectory files of
REMD. I used 16 replicas for my simulation, and used demux.pl perl script to
generate the replica_index.xvg and replica_temp.xvg. Then I used trjcat -f
xtc_*.xtc -demux replica_index.avg, however got an error information as below:
Reading frame 0 time 0.000 Segmentation fault
Then when I tried trjcat -f traj*.trr -o traj.trr -demux replica_index.xvg, got
another error as this:
Fatal error:
You have specified 17 files and 16 entries in the demux table
Can anyone give me some advice on what have gone wrong? Thanks a lot.
_________________________________________________________________
您的电子邮件和更灵活的即时通信。免费获取 Windows Live Hotmail。
https://signup.live.com/signup.aspx?id=60969
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php